4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C24H30ClF5N4O2 — CID 153296726

IUPAC4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C24H30ClF5N4O2/c1-4-34-21(19(25)20(33-34)22(35)32-11-15-7-5-13(2)6-8-15)17-12-31-16(9-14(3)24(28,29)30)10-18(17)36-23(26)27/h10,12-15,23H,4-9,11H2,1-3H3,(H,32,35)/t13?,14-,15?/m0/s1
InChIKeyJCVBAQDJABBXOH-SLTAFYQDSA-N
MW536.97 g/mol
LogP6.52
Rot. Bonds9

About 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296726) has the molecular formula C24H30ClF5N4O2 and a molecular weight of 536.97 g/mol. Its IUPAC name is 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID153296726
Molecular FormulaC24H30ClF5N4O2
Molecular Weight536.97 g/mol
Exact Mass536.20
IUPAC Name4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C24H30ClF5N4O2/c1-4-34-21(19(25)20(33-34)22(35)32-11-15-7-5-13(2)6-8-15)17-12-31-16(9-14(3)24(28,29)30)10-18(17)36-23(26)27/h10,12-15,23H,4-9,11H2,1-3H3,(H,32,35)/t13?,14-,15?/m0/s1
InChIKeyJCVBAQDJABBXOH-SLTAFYQDSA-N
XLogP6.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.97
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296726) is 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is JCVBAQDJABBXOH-SLTAFYQDSA-N. The full InChI is InChI=1S/C24H30ClF5N4O2/c1-4-34-21(19(25)20(33-34)22(35)32-11-15-7-5-13(2)6-8-15)17-12-31-16(9-14(3)24(28,29)30)10-18(17)36-23(26)27/h10,12-15,23H,4-9,11H2,1-3H3,(H,32,35)/t13?,14-,15?/m0/s1.
What are the key properties of 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 536.97 g/mol, XLogP of 6.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(difluoromethoxy)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).