4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C26H33ClF5N5O3 — CID 153296672

About 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296672) has the molecular formula C26H33ClF5N5O3 and a molecular weight of 594.03 g/mol. Its IUPAC name is 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
• PubChem CID: 153296672
• Molecular Formula: C26H33ClF5N5O3
• Molecular Weight: 594.03 g/mol
• Exact Mass: 593.22
• IUPAC Name: 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(CC(F)(F)F)C2CC2)cc1OC(F)F
• InChI: InChI=1S/C26H33ClF5N5O3/c1-3-37-22(20(27)21(36-37)23(38)34-13-25(39)8-6-14(2)7-9-25)16-12-33-19(10-18(16)40-24(28)29)35-17(15-4-5-15)11-26(30,31)32/h10,12,14-15,17,24,39H,3-9,11,13H2,1-2H3,(H,33,35)(H,34,38)
• InChIKey: NAXNXNFBUUMDCM-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 101.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.03
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The IUPAC name of 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296672) is 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(CC(F)(F)F)C2CC2)cc1OC(F)F.

What is the InChIKey of 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The InChIKey is NAXNXNFBUUMDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClF5N5O3/c1-3-37-22(20(27)21(36-37)23(38)34-13-25(39)8-6-14(2)7-9-25)16-12-33-19(10-18(16)40-24(28)29)35-17(15-4-5-15)11-26(30,31)32/h10,12,14-15,17,24,39H,3-9,11,13H2,1-2H3,(H,33,35)(H,34,38).

What are the key properties of 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 594.03 g/mol, XLogP of 6.03, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[6-[(1-cyclopropyl-3,3,3-trifluoropropyl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).