N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide

C10H14FN3O — CID 126793991

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1F)c1cn[nH]c1
InChIInChI=1S/C10H14FN3O/c11-8-3-1-2-4-9(8)14-10(15)7-5-12-13-6-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,15)/t8-,9-/m1/s1
InChIKeyUCIIHSVGXFWFGX-RKDXNWHRSA-N
MW211.24 g/mol
LogP1.42
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide

N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 126793991) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID126793991
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1F)c1cn[nH]c1
InChIInChI=1S/C10H14FN3O/c11-8-3-1-2-4-9(8)14-10(15)7-5-12-13-6-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,15)/t8-,9-/m1/s1
InChIKeyUCIIHSVGXFWFGX-RKDXNWHRSA-N
XLogP1.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
N-(difluoromethyl)-1H-pyrazole-4-carboxamide
CID 66726653
N-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
CID 79078834
4-fluoro-4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90783148

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide (CID 126793991) is N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1F)c1cn[nH]c1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UCIIHSVGXFWFGX-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-8-3-1-2-4-9(8)14-10(15)7-5-12-13-6-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,15)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide?
N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 211.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126793991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).