N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C14H19ClN6O — CID 120930988

IUPACN-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ncc(NC(=O)C2(n3cccn3)CCNCC2)cn1.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-11-16-9-12(10-17-11)19-13(21)14(3-6-15-7-4-14)20-8-2-5-18-20;/h2,5,8-10,15H,3-4,6-7H2,1H3,(H,19,21);1H
InChIKeyBFVVUMRQYLCQSI-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.12
Rot. Bonds3

About N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120930988) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120930988
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC NameN-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ncc(NC(=O)C2(n3cccn3)CCNCC2)cn1.Cl
InChIInChI=1S/C14H18N6O.ClH/c1-11-16-9-12(10-17-11)19-13(21)14(3-6-15-7-4-14)20-8-2-5-18-20;/h2,5,8-10,15H,3-4,6-7H2,1H3,(H,19,21);1H
InChIKeyBFVVUMRQYLCQSI-UHFFFAOYSA-N
XLogP1.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928511
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
N-(2,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120916999
N-(2-fluoro-5-methylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917788

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120930988) is N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1ncc(NC(=O)C2(n3cccn3)CCNCC2)cn1.Cl.
What is the InChIKey of N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is BFVVUMRQYLCQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.ClH/c1-11-16-9-12(10-17-11)19-13(21)14(3-6-15-7-4-14)20-8-2-5-18-20;/h2,5,8-10,15H,3-4,6-7H2,1H3,(H,19,21);1H.
What are the key properties of N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120930988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).