5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide

C26H36F4N4O4 — CID 153296697

IUPAC5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
InChIInChI=1S/C26H36F4N4O4/c1-6-34-21(17-12-31-16(10-18(17)38-24(29)30)11-25(4,5)23(27)28)15(3)20(33-34)22(36)32-13-26(37)8-7-14(2)9-19(26)35/h10,12,14,19,23-24,35,37H,6-9,11,13H2,1-5H3,(H,32,36)/t14-,19-,26-/m1/s1
InChIKeyBIFSNPIJUOCUQL-UUELBBOTSA-N
MW544.59 g/mol
LogP4.35
Rot. Bonds10

About 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide

5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide (PubChem CID 153296697) has the molecular formula C26H36F4N4O4 and a molecular weight of 544.59 g/mol. Its IUPAC name is 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide
PubChem CID153296697
Molecular FormulaC26H36F4N4O4
Molecular Weight544.59 g/mol
Exact Mass544.27
IUPAC Name5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
InChIInChI=1S/C26H36F4N4O4/c1-6-34-21(17-12-31-16(10-18(17)38-24(29)30)11-25(4,5)23(27)28)15(3)20(33-34)22(36)32-13-26(37)8-7-14(2)9-19(26)35/h10,12,14,19,23-24,35,37H,6-9,11,13H2,1-5H3,(H,32,36)/t14-,19-,26-/m1/s1
InChIKeyBIFSNPIJUOCUQL-UUELBBOTSA-N
XLogP4.35
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.59
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide
CID 158826043
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;sulfur dioxide
CID 162126713
5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide
CID 153296764
4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropoxy)-4-methoxy-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
CID 159297533
ethyl 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-4-methylpyrazole-3-carboxylate
CID 146285897
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide
CID 153296146
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;sulfur dioxide
CID 159004151
5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146285933
5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-N-[(1,2-dihydroxy-4-methylsulfonylcyclohexyl)methyl]-1-ethyl-4-methylpyrazole-3-carboxamide
CID 146285954
5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 161100895
4-chloro-5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;sulfur dioxide
CID 161375407
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296722

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide (CID 153296697) is 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide is CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F.
What is the InChIKey of 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide?
The InChIKey is BIFSNPIJUOCUQL-UUELBBOTSA-N. The full InChI is InChI=1S/C26H36F4N4O4/c1-6-34-21(17-12-31-16(10-18(17)38-24(29)30)11-25(4,5)23(27)28)15(3)20(33-34)22(36)32-13-26(37)8-7-14(2)9-19(26)35/h10,12,14,19,23-24,35,37H,6-9,11,13H2,1-5H3,(H,32,36)/t14-,19-,26-/m1/s1.
What are the key properties of 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide?
5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide has a molecular weight of 544.59 g/mol, XLogP of 4.35, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 153296697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).