N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H16FN3O — CID 126794183

IUPACN-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC1CCCC(F)C1
InChIInChI=1S/C11H16FN3O/c1-7-10(6-13-15-7)11(16)14-9-4-2-3-8(12)5-9/h6,8-9H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyKPAWORJUBQYSTB-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.73
Rot. Bonds2

About N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 126794183) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID126794183
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC1CCCC(F)C1
InChIInChI=1S/C11H16FN3O/c1-7-10(6-13-15-7)11(16)14-9-4-2-3-8(12)5-9/h6,8-9H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyKPAWORJUBQYSTB-UHFFFAOYSA-N
XLogP1.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
5-methyl-N-[(1-propoxycyclohexyl)methyl]-1H-pyrazole-4-carboxamide
CID 71979185
5-methyl-N-[3-(2-methylpropylsulfanyl)propyl]-1H-pyrazole-4-carboxamide
CID 75433102
N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
CID 91648947
N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 122148886
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132289687
(3,3-difluoropyrrolidin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132291935
N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 164636640
(5-methyl-1H-pyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65532803
N-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66663098

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 126794183) is N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC1CCCC(F)C1.
What is the InChIKey of N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is KPAWORJUBQYSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-10(6-13-15-7)11(16)14-9-4-2-3-8(12)5-9/h6,8-9H,2-5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126794183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).