N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride

C11H17ClF2N4O — CID 119328781

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(CC(F)F)c1)C1CCNCC1
InChIInChI=1S/C11H16F2N4O.ClH/c12-10(13)7-17-6-9(5-15-17)16-11(18)8-1-3-14-4-2-8;/h5-6,8,10,14H,1-4,7H2,(H,16,18);1H
InChIKeyVKGFKBVPFDOYOQ-UHFFFAOYSA-N
MW294.73 g/mol
LogP1.51
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119328781) has the molecular formula C11H17ClF2N4O and a molecular weight of 294.73 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID119328781
Molecular FormulaC11H17ClF2N4O
Molecular Weight294.73 g/mol
Exact Mass294.11
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(CC(F)F)c1)C1CCNCC1
InChIInChI=1S/C11H16F2N4O.ClH/c12-10(13)7-17-6-9(5-15-17)16-11(18)8-1-3-14-4-2-8;/h5-6,8,10,14H,1-4,7H2,(H,16,18);1H
InChIKeyVKGFKBVPFDOYOQ-UHFFFAOYSA-N
XLogP1.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119333412
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119792885
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119328772
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
1-cyclohexyl-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-methylurea
CID 126780377
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
CID 111458225
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride (CID 119328781) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1cnn(CC(F)F)c1)C1CCNCC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is VKGFKBVPFDOYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O.ClH/c12-10(13)7-17-6-9(5-15-17)16-11(18)8-1-3-14-4-2-8;/h5-6,8,10,14H,1-4,7H2,(H,16,18);1H.
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 294.73 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119328781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).