5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide

C12H17F2N3O2 — CID 136586301

IUPAC5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1C(F)F
InChIInChI=1S/C12H17F2N3O2/c1-17-9(11(13)14)6-8(16-17)12(19)15-7-4-2-3-5-10(7)18/h6-7,10-11,18H,2-5H2,1H3,(H,15,19)/t7-,10-/m0/s1
InChIKeyCMICVPJKLUKVDR-XVKPBYJWSA-N
MW273.28 g/mol
LogP1.39
Rot. Bonds3

About 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide

5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide (PubChem CID 136586301) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide
PubChem CID136586301
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1C(F)F
InChIInChI=1S/C12H17F2N3O2/c1-17-9(11(13)14)6-8(16-17)12(19)15-7-4-2-3-5-10(7)18/h6-7,10-11,18H,2-5H2,1H3,(H,15,19)/t7-,10-/m0/s1
InChIKeyCMICVPJKLUKVDR-XVKPBYJWSA-N
XLogP1.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide (CID 136586301) is 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CMICVPJKLUKVDR-XVKPBYJWSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-17-9(11(13)14)6-8(16-17)12(19)15-7-4-2-3-5-10(7)18/h6-7,10-11,18H,2-5H2,1H3,(H,15,19)/t7-,10-/m0/s1.
What are the key properties of 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide?
5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136586301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).