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

C11H16F2N4O — CID 119328770

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C1CCCCN1
InChIInChI=1S/C11H16F2N4O/c12-10(13)7-17-6-8(5-15-17)16-11(18)9-3-1-2-4-14-9/h5-6,9-10,14H,1-4,7H2,(H,16,18)
InChIKeyKBCQNJXXRWIPHB-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.23
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide (PubChem CID 119328770) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide
PubChem CID119328770
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C1CCCCN1
InChIInChI=1S/C11H16F2N4O/c12-10(13)7-17-6-8(5-15-17)16-11(18)9-3-1-2-4-14-9/h5-6,9-10,14H,1-4,7H2,(H,16,18)
InChIKeyKBCQNJXXRWIPHB-UHFFFAOYSA-N
XLogP1.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 51098378
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383
4,4,4-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810259
2-(4-Amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide hydrochloride
CID 71298695
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide
CID 28313580
2-(4-Amino-pyrazol-1-yl)-1-piperidin-1-yl-ethanone hydrochloride
CID 71298688

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide (CID 119328770) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide is O=C(Nc1cnn(CC(F)F)c1)C1CCCCN1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide?
The InChIKey is KBCQNJXXRWIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c12-10(13)7-17-6-8(5-15-17)16-11(18)9-3-1-2-4-14-9/h5-6,9-10,14H,1-4,7H2,(H,16,18).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide has a molecular weight of 258.27 g/mol, XLogP of 1.23, 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-2-carboxamide is sourced from PubChem (CID 119328770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).