3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide

C10H14FN3O — CID 126794159

IUPAC3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCCC(F)C1
InChIInChI=1S/C10H14FN3O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h5-8H,1-4H2,(H,12,13)(H,14,15)
InChIKeyABEAWDIPPQYICI-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.88
Rot. Bonds2

About 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide

3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 126794159) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
PubChem CID126794159
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCCC(F)C1
InChIInChI=1S/C10H14FN3O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h5-8H,1-4H2,(H,12,13)(H,14,15)
InChIKeyABEAWDIPPQYICI-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
CID 154844606
2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429525
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 139539367
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60506980
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 75358382
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
N-[2-(4-aminopyrazol-1-yl)ethyl]-4,4-difluorocyclohexane-1-carboxamide
CID 81930606
N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932742
4,4-difluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 81932743
4,4-difluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932854
N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112686196

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide (CID 126794159) is 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide is O=C(Nc1cn[nH]c1)C1CCCC(F)C1.
What is the InChIKey of 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is ABEAWDIPPQYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h5-8H,1-4H2,(H,12,13)(H,14,15).
What are the key properties of 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide?
3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 211.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 126794159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).