N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride

C12H21ClN4O — CID 119268271

IUPACN-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)n1nccc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-9(2)16-11(5-8-14-16)15-12(17)10-3-6-13-7-4-10;/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,15,17);1H
InChIKeyBYFTUSUQIFEAFM-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.82
Rot. Bonds3

About N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride

N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119268271) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119268271
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)n1nccc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-9(2)16-11(5-8-14-16)15-12(17)10-3-6-13-7-4-10;/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,15,17);1H
InChIKeyBYFTUSUQIFEAFM-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 66031864
9-amino-N-(2-propan-2-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984788
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
CID 78772201
(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
CID 84734168
1-cyclopentyl-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916133
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 78835001
2-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 64817560
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride (CID 119268271) is N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride is CC(C)n1nccc1NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is BYFTUSUQIFEAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-9(2)16-11(5-8-14-16)15-12(17)10-3-6-13-7-4-10;/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,15,17);1H.
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride?
N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119268271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).