3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen

C78H83Cl2N27O6S5 — CID 159712960

About 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen

3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen (PubChem CID 159712960) has the molecular formula C78H83Cl2N27O6S5 and a molecular weight of 1725.95 g/mol. Its IUPAC name is 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
• PubChem CID: 159712960
• Molecular Formula: C78H83Cl2N27O6S5
• Molecular Weight: 1725.95 g/mol
• Exact Mass: 1723.50
• IUPAC Name: 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
• SMILES: Cc1cnc(-c2cccc(S(N)(=O)=O)c2)nc1Nc1cc(C2CC2)[nH]n1.Clc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.NS(=O)(=O)c1cccc(-c2nccc(Cc3cc(C4CC4)n[nH]3)n2)c1.[H][H].[H][H].[H][H].[H][H].c1csc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
• InChI: InChI=1S/C17H18N6O2S.C17H17N5O2S.C16H15ClN6O2S.C14H12ClN5S.C14H13N5S.4H2/c1-10-9-19-17(12-3-2-4-13(7-12)26(18,24)25)21-16(10)20-15-8-14(22-23-15)11-5-6-11;18-25(23,24)15-3-1-2-12(8-15)17-19-7-6-13(20-17)9-14-10-16(22-21-14)11-4-5-11;17-12-8-19-15(10-2-1-3-11(6-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-4-5-9;15-9-7-16-14(11-2-1-5-21-11)18-13(9)17-12-6-10(19-20-12)8-3-4-8;1-2-11(20-7-1)14-15-6-5-12(17-14)16-13-8-10(18-19-13)9-3-4-9;;;;/h2-4,7-9,11H,5-6H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23);1-3,6-8,10-11H,4-5,9H2,(H,21,22)(H2,18,23,24);1-3,6-9H,4-5H2,(H2,18,24,25)(H2,19,20,21,22,23);1-2,5-8H,3-4H2,(H2,16,17,18,19,20);1-2,5-9H,3-4H2,(H2,15,16,17,18,19);4*1H
• InChIKey: MZBNWYLQKXLFFP-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 500.90 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1725.95
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?

The IUPAC name of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen (CID 159712960) is 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen.

What is the SMILES notation for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?

The canonical SMILES for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen is Cc1cnc(-c2cccc(S(N)(=O)=O)c2)nc1Nc1cc(C2CC2)[nH]n1.Clc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.NS(=O)(=O)c1cccc(-c2nccc(Cc3cc(C4CC4)n[nH]3)n2)c1.[H][H].[H][H].[H][H].[H][H].c1csc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.

What is the InChIKey of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?

The InChIKey is MZBNWYLQKXLFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S.C17H17N5O2S.C16H15ClN6O2S.C14H12ClN5S.C14H13N5S.4H2/c1-10-9-19-17(12-3-2-4-13(7-12)26(18,24)25)21-16(10)20-15-8-14(22-23-15)11-5-6-11;18-25(23,24)15-3-1-2-12(8-15)17-19-7-6-13(20-17)9-14-10-16(22-21-14)11-4-5-11;17-12-8-19-15(10-2-1-3-11(6-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-4-5-9;15-9-7-16-14(11-2-1-5-21-11)18-13(9)17-12-6-10(19-20-12)8-3-4-8;1-2-11(20-7-1)14-15-6-5-12(17-14)16-13-8-10(18-19-13)9-3-4-9;;;;/h2-4,7-9,11H,5-6H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23);1-3,6-8,10-11H,4-5,9H2,(H,21,22)(H2,18,23,24);1-3,6-9H,4-5H2,(H2,18,24,25)(H2,19,20,21,22,23);1-2,5-8H,3-4H2,(H2,16,17,18,19,20);1-2,5-9H,3-4H2,(H2,15,16,17,18,19);4*1H.

What are the key properties of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?

3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 1725.95 g/mol, XLogP of 15.95, 23 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzenesulfonamide;3-[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]benzenesulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 159712960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).