4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide

C83H83F3N20O11S5 — CID 159112257

IUPAC4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.Cc1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.Cc1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.O=S(=O)(Nc1ccnc2cc(C3CC3)nn12)c1ccc(CO)cc1.O=S(=O)(Nc1ccnc2cc(C3CC3)nn12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22N4O2S.C16H13F3N4O2S.C16H16N4O3S.2C16H16N4O2S/c1-19(2,3)14-6-8-15(9-7-14)26(24,25)22-17-10-11-20-18-12-16(13-4-5-13)21-23(17)18;17-16(18,19)11-2-1-3-12(8-11)26(24,25)22-14-6-7-20-15-9-13(10-4-5-10)21-23(14)15;21-10-11-1-5-13(6-2-11)24(22,23)19-15-7-8-17-16-9-14(12-3-4-12)18-20(15)16;2*1-11-2-6-13(7-3-11)23(21,22)19-15-8-9-17-16-10-14(12-4-5-12)18-20(15)16/h6-13,22H,4-5H2,1-3H3;1-3,6-10,22H,4-5H2;1-2,5-9,12,19,21H,3-4,10H2;2*2-3,6-10,12,19H,4-5H2,1H3
InChIKeyKEQKGOGLZVWDSP-UHFFFAOYSA-N
MW1754.03 g/mol
LogP14.46
Rot. Bonds21

About 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide

4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159112257) has the molecular formula C83H83F3N20O11S5 and a molecular weight of 1754.03 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID159112257
Molecular FormulaC83H83F3N20O11S5
Molecular Weight1754.03 g/mol
Exact Mass1752.51
IUPAC Name4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.Cc1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.Cc1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.O=S(=O)(Nc1ccnc2cc(C3CC3)nn12)c1ccc(CO)cc1.O=S(=O)(Nc1ccnc2cc(C3CC3)nn12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22N4O2S.C16H13F3N4O2S.C16H16N4O3S.2C16H16N4O2S/c1-19(2,3)14-6-8-15(9-7-14)26(24,25)22-17-10-11-20-18-12-16(13-4-5-13)21-23(17)18;17-16(18,19)11-2-1-3-12(8-11)26(24,25)22-14-6-7-20-15-9-13(10-4-5-10)21-23(14)15;21-10-11-1-5-13(6-2-11)24(22,23)19-15-7-8-17-16-9-14(12-3-4-12)18-20(15)16;2*1-11-2-6-13(7-3-11)23(21,22)19-15-8-9-17-16-10-14(12-4-5-12)18-20(15)16/h6-13,22H,4-5H2,1-3H3;1-3,6-10,22H,4-5H2;1-2,5-9,12,19,21H,3-4,10H2;2*2-3,6-10,12,19H,4-5H2,1H3
InChIKeyKEQKGOGLZVWDSP-UHFFFAOYSA-N
XLogP14.46
TPSA402.03 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001754.03
LogP ≤ 514.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-dimethylbenzenesulfonamide;[4-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methanol;5-cyclohexyl-3-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 123404329
[7-Amino-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanol;[7-amino-5-(1,1-dioxothian-4-yl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]methanol;6-(aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159115507

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 159112257) is 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.Cc1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.Cc1ccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)cc1.O=S(=O)(Nc1ccnc2cc(C3CC3)nn12)c1ccc(CO)cc1.O=S(=O)(Nc1ccnc2cc(C3CC3)nn12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KEQKGOGLZVWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S.C16H13F3N4O2S.C16H16N4O3S.2C16H16N4O2S/c1-19(2,3)14-6-8-15(9-7-14)26(24,25)22-17-10-11-20-18-12-16(13-4-5-13)21-23(17)18;17-16(18,19)11-2-1-3-12(8-11)26(24,25)22-14-6-7-20-15-9-13(10-4-5-10)21-23(14)15;21-10-11-1-5-13(6-2-11)24(22,23)19-15-7-8-17-16-9-14(12-3-4-12)18-20(15)16;2*1-11-2-6-13(7-3-11)23(21,22)19-15-8-9-17-16-10-14(12-4-5-12)18-20(15)16/h6-13,22H,4-5H2,1-3H3;1-3,6-10,22H,4-5H2;1-2,5-9,12,19,21H,3-4,10H2;2*2-3,6-10,12,19H,4-5H2,1H3.
What are the key properties of 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide?
4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1754.03 g/mol, XLogP of 14.46, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide;N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-(hydroxymethyl)benzenesulfonamide;bis(N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-methylbenzenesulfonamide);N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159112257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).