5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C101H106F6N22O9 — CID 159790463

About 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 159790463) has the molecular formula C101H106F6N22O9 and a molecular weight of 1886.09 g/mol. Its IUPAC name is 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
• PubChem CID: 159790463
• Molecular Formula: C101H106F6N22O9
• Molecular Weight: 1886.09 g/mol
• Exact Mass: 1884.84
• IUPAC Name: 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
• SMILES: Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)N3CCCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)c3cccnc3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3C=CCC3(F)F)c(N)c2C(N)=O)cc1
• InChI: InChI=1S/C26H25FN6O2.C26H30FN5O3.C25H29FN6O2.C24H22F3N5O2/c1-15-5-10-20(27)12-21(15)26(35)31-13-17-6-8-18(9-7-17)23-22(25(29)34)24(28)33(32-23)16(2)19-4-3-11-30-14-19;1-15-5-10-20(27)12-21(15)26(34)30-13-17-6-8-18(9-7-17)23-22(25(29)33)24(28)32(31-23)16(2)19-4-3-11-35-14-19;1-15-5-10-19(26)13-20(15)25(34)29-14-17-6-8-18(9-7-17)22-21(24(28)33)23(27)32(30-22)16(2)31-11-3-4-12-31;1-13-4-9-16(25)11-17(13)23(34)30-12-14-5-7-15(8-6-14)20-19(22(29)33)21(28)32(31-20)18-3-2-10-24(18,26)27/h3-12,14,16H,13,28H2,1-2H3,(H2,29,34)(H,31,35);5-10,12,16,19H,3-4,11,13-14,28H2,1-2H3,(H2,29,33)(H,30,34);5-10,13,16H,3-4,11-12,14,27H2,1-2H3,(H2,28,33)(H,29,34);2-9,11,18H,10,12,28H2,1H3,(H2,29,33)(H,30,34)
• InChIKey: NIMJJNIFCKNNIA-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 489.48 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1886.09
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 159790463) is 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)N3CCCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)c3cccnc3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3C=CCC3(F)F)c(N)c2C(N)=O)cc1.

What is the InChIKey of 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?

The InChIKey is NIMJJNIFCKNNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2.C26H30FN5O3.C25H29FN6O2.C24H22F3N5O2/c1-15-5-10-20(27)12-21(15)26(35)31-13-17-6-8-18(9-7-17)23-22(25(29)34)24(28)33(32-23)16(2)19-4-3-11-30-14-19;1-15-5-10-20(27)12-21(15)26(34)30-13-17-6-8-18(9-7-17)23-22(25(29)33)24(28)32(31-23)16(2)19-4-3-11-35-14-19;1-15-5-10-19(26)13-20(15)25(34)29-14-17-6-8-18(9-7-17)22-21(24(28)33)23(27)32(30-22)16(2)31-11-3-4-12-31;1-13-4-9-16(25)11-17(13)23(34)30-12-14-5-7-15(8-6-14)20-19(22(29)33)21(28)32(31-20)18-3-2-10-24(18,26)27/h3-12,14,16H,13,28H2,1-2H3,(H2,29,34)(H,31,35);5-10,12,16,19H,3-4,11,13-14,28H2,1-2H3,(H2,29,33)(H,30,34);5-10,13,16H,3-4,11-12,14,27H2,1-2H3,(H2,28,33)(H,29,34);2-9,11,18H,10,12,28H2,1H3,(H2,29,33)(H,30,34).

What are the key properties of 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?

5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 1886.09 g/mol, XLogP of 14.18, 27 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 159790463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).