N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C124H118F11N31O6 — CID 164951855

About N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 164951855) has the molecular formula C124H118F11N31O6 and a molecular weight of 2347.50 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
• PubChem CID: 164951855
• Molecular Formula: C124H118F11N31O6
• Molecular Weight: 2347.50 g/mol
• Exact Mass: 2345.97
• IUPAC Name: N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
• SMILES: CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC#N.CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC1CC1.CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCCCF.CCCOc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cc[nH]c3)c2n1.C[C@@H](Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC(F)(F)F.C[C@@H](Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCCF
• InChI: InChI=1S/C22H22FN5O.C21H21F2N5O.C21H22FN5O.C20H17F4N5O.C20H19F2N5O.C20H17FN6O/c1-14(18-10-17(23)4-5-20(18)29-13-15-2-3-15)26-21-7-9-28-22(27-21)19(12-25-28)16-6-8-24-11-16;1-14(17-11-16(23)3-4-19(17)29-10-2-7-22)26-20-6-9-28-21(27-20)18(13-25-28)15-5-8-24-12-15;1-3-10-28-19-5-4-16(22)11-17(19)14(2)25-20-7-9-27-21(26-20)18(13-24-27)15-6-8-23-12-15;1-12(15-8-14(21)2-3-17(15)30-11-20(22,23)24)27-18-5-7-29-19(28-18)16(10-26-29)13-4-6-25-9-13;1-13(16-10-15(22)2-3-18(16)28-9-6-21)25-19-5-8-27-20(26-19)17(12-24-27)14-4-7-23-11-14;1-13(16-10-15(21)2-3-18(16)28-9-6-22)25-19-5-8-27-20(26-19)17(12-24-27)14-4-7-23-11-14/h4-12,14-15,24H,2-3,13H2,1H3,(H,26,27);3-6,8-9,11-14,24H,2,7,10H2,1H3,(H,26,27);4-9,11-14,23H,3,10H2,1-2H3,(H,25,26);2-10,12,25H,11H2,1H3,(H,27,28);2-5,7-8,10-13,23H,6,9H2,1H3,(H,25,26);2-5,7-8,10-13,23H,9H2,1H3,(H,25,26)/t;;;12-;13-;/m...11./s1
• InChIKey: AQDJTJUGDHMRFB-FGGXNFCRSA-N
• XLogP: 27.73
• TPSA: 427.23 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 41
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2347.50
LogP ≤ 5	27.73
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The IUPAC name of N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 164951855) is N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

What is the SMILES notation for N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The canonical SMILES for N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC#N.CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC1CC1.CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCCCF.CCCOc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cc[nH]c3)c2n1.C[C@@H](Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCC(F)(F)F.C[C@@H](Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCCF.

What is the InChIKey of N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The InChIKey is AQDJTJUGDHMRFB-FGGXNFCRSA-N. The full InChI is InChI=1S/C22H22FN5O.C21H21F2N5O.C21H22FN5O.C20H17F4N5O.C20H19F2N5O.C20H17FN6O/c1-14(18-10-17(23)4-5-20(18)29-13-15-2-3-15)26-21-7-9-28-22(27-21)19(12-25-28)16-6-8-24-11-16;1-14(17-11-16(23)3-4-19(17)29-10-2-7-22)26-20-6-9-28-21(27-20)18(13-25-28)15-5-8-24-12-15;1-3-10-28-19-5-4-16(22)11-17(19)14(2)25-20-7-9-27-21(26-20)18(13-24-27)15-6-8-23-12-15;1-12(15-8-14(21)2-3-17(15)30-11-20(22,23)24)27-18-5-7-29-19(28-18)16(10-26-29)13-4-6-25-9-13;1-13(16-10-15(22)2-3-18(16)28-9-6-21)25-19-5-8-27-20(26-19)17(12-24-27)14-4-7-23-11-14;1-13(16-10-15(21)2-3-18(16)28-9-6-22)25-19-5-8-27-20(26-19)17(12-24-27)14-4-7-23-11-14/h4-12,14-15,24H,2-3,13H2,1H3,(H,26,27);3-6,8-9,11-14,24H,2,7,10H2,1H3,(H,26,27);4-9,11-14,23H,3,10H2,1-2H3,(H,25,26);2-10,12,25H,11H2,1H3,(H,27,28);2-5,7-8,10-13,23H,6,9H2,1H3,(H,25,26);2-5,7-8,10-13,23H,9H2,1H3,(H,25,26)/t;;;12-;13-;/m...11./s1.

What are the key properties of N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 2347.50 g/mol, XLogP of 27.73, 41 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-propoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2-[4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenoxy]acetonitrile;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 164951855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).