1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C10H12F3N3O — CID 45169604

IUPAC1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-2-1-3-16(6-8)9(17)7-4-14-15-5-7/h4-5,8H,1-3,6H2,(H,14,15)
InChIKeyJCFCZFOAGNHDSA-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.82
Rot. Bonds1

About 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 45169604) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID45169604
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-2-1-3-16(6-8)9(17)7-4-14-15-5-7/h4-5,8H,1-3,6H2,(H,14,15)
InChIKeyJCFCZFOAGNHDSA-UHFFFAOYSA-N
XLogP1.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
3-ethyl-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide
CID 77092336
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
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

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 45169604) is 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cn[nH]c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is JCFCZFOAGNHDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-2-1-3-16(6-8)9(17)7-4-14-15-5-7/h4-5,8H,1-3,6H2,(H,14,15).
What are the key properties of 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 247.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45169604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).