N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide

C90H87Cl7F11N29O7S2 — CID 159280418

About N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide

N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 159280418) has the molecular formula C90H87Cl7F11N29O7S2 and a molecular weight of 2208.16 g/mol. Its IUPAC name is N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

• Compound Name: N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide
• PubChem CID: 159280418
• Molecular Formula: C90H87Cl7F11N29O7S2
• Molecular Weight: 2208.16 g/mol
• Exact Mass: 2203.44
• IUPAC Name: N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide
• SMILES: CC(=O)CCC(=O)N(C)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCS)c1cn(-c2cccnc2)nc1Cl.CSC(F)(F)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl.N/C(=N\c1cn(-c2cccnc2)nc1Cl)C1CC1.O=C(CC(F)(F)F)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C15H14ClF3N4O.C14H15ClN4O2.C13H12ClF3N4O.C12H10ClF3N4O.C12H11ClF2N4OS.C12H12ClN5.C12H13ClN4OS/c16-14-12(9-23(21-14)11-2-1-5-20-7-11)22(8-10-3-4-10)13(24)6-15(17,18)19;1-10(20)5-6-13(21)18(2)12-9-19(17-14(12)15)11-4-3-7-16-8-11;1-2-20(11(22)6-13(15,16)17)10-8-21(19-12(10)14)9-4-3-5-18-7-9;1-19(10(21)5-12(14,15)16)9-7-20(18-11(9)13)8-3-2-4-17-6-8;1-18(11(20)12(14,15)21-2)9-7-19(17-10(9)13)8-4-3-5-16-6-8;13-11-10(16-12(14)8-3-4-8)7-18(17-11)9-2-1-5-15-6-9;1-16(11(18)4-6-19)10-8-17(15-12(10)13)9-3-2-5-14-7-9/h1-2,5,7,9-10H,3-4,6,8H2;3-4,7-9H,5-6H2,1-2H3;3-5,7-8H,2,6H2,1H3;2-4,6-7H,5H2,1H3;3-7H,1-2H3;1-2,5-8H,3-4H2,(H2,14,16);2-3,5,7-8,19H,4,6H2,1H3
• InChIKey: KYVOMWAWNFHAJI-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 392.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2208.16
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide?

The IUPAC name of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide (CID 159280418) is N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide.

What is the SMILES notation for N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide?

The canonical SMILES for N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide is CC(=O)CCC(=O)N(C)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCS)c1cn(-c2cccnc2)nc1Cl.CSC(F)(F)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl.N/C(=N\c1cn(-c2cccnc2)nc1Cl)C1CC1.O=C(CC(F)(F)F)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide?

The InChIKey is KYVOMWAWNFHAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O.C14H15ClN4O2.C13H12ClF3N4O.C12H10ClF3N4O.C12H11ClF2N4OS.C12H12ClN5.C12H13ClN4OS/c16-14-12(9-23(21-14)11-2-1-5-20-7-11)22(8-10-3-4-10)13(24)6-15(17,18)19;1-10(20)5-6-13(21)18(2)12-9-19(17-14(12)15)11-4-3-7-16-8-11;1-2-20(11(22)6-13(15,16)17)10-8-21(19-12(10)14)9-4-3-5-18-7-9;1-19(10(21)5-12(14,15)16)9-7-20(18-11(9)13)8-3-2-4-17-6-8;1-18(11(20)12(14,15)21-2)9-7-19(17-10(9)13)8-4-3-5-16-6-8;13-11-10(16-12(14)8-3-4-8)7-18(17-11)9-2-1-5-15-6-9;1-16(11(18)4-6-19)10-8-17(15-12(10)13)9-3-2-5-14-7-9/h1-2,5,7,9-10H,3-4,6,8H2;3-4,7-9H,5-6H2,1-2H3;3-5,7-8H,2,6H2,1H3;2-4,6-7H,5H2,1H3;3-7H,1-2H3;1-2,5-8H,3-4H2,(H2,14,16);2-3,5,7-8,19H,4,6H2,1H3.

What are the key properties of N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide?

N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 2208.16 g/mol, XLogP of 19.29, 28 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)cyclopropanecarboximidamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2,2-difluoro-N-methyl-2-methylsulfanylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3,3,3-trifluoropropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-oxopentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 159280418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).