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

C25H30F8N4O2 — CID 162370418

IUPAC5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C25H30F8N4O2/c1-4-37-21(14(3)20(36-37)22(38)35-11-15-7-5-13(2)6-8-15)17-12-34-16(9-18(17)39-23(26)27)10-19(24(28,29)30)25(31,32)33/h9,12-13,15,19,23H,4-8,10-11H2,1-3H3,(H,35,38)
InChIKeyIGILPNRZSYJHHU-UHFFFAOYSA-N
MW570.53 g/mol
LogP6.71
Rot. Bonds9

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

5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 162370418) has the molecular formula C25H30F8N4O2 and a molecular weight of 570.53 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID162370418
Molecular FormulaC25H30F8N4O2
Molecular Weight570.53 g/mol
Exact Mass570.22
IUPAC Name5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C25H30F8N4O2/c1-4-37-21(14(3)20(36-37)22(38)35-11-15-7-5-13(2)6-8-15)17-12-34-16(9-18(17)39-23(26)27)10-19(24(28,29)30)25(31,32)33/h9,12-13,15,19,23H,4-8,10-11H2,1-3H3,(H,35,38)
InChIKeyIGILPNRZSYJHHU-UHFFFAOYSA-N
XLogP6.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.53
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 162370418) is 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is IGILPNRZSYJHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F8N4O2/c1-4-37-21(14(3)20(36-37)22(38)35-11-15-7-5-13(2)6-8-15)17-12-34-16(9-18(17)39-23(26)27)10-19(24(28,29)30)25(31,32)33/h9,12-13,15,19,23H,4-8,10-11H2,1-3H3,(H,35,38).
What are the key properties of 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 570.53 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-6-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162370418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).