N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C13H19ClN6O — CID 120925026

IUPACN-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1
InChIInChI=1S/C13H18N6O.ClH/c1-18-10-11(9-16-18)17-12(20)13(3-6-14-7-4-13)19-8-2-5-15-19;/h2,5,8-10,14H,3-4,6-7H2,1H3,(H,17,20);1H
InChIKeyZRPHWQMZJSLHAB-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.76
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120925026) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120925026
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC NameN-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1
InChIInChI=1S/C13H18N6O.ClH/c1-18-10-11(9-16-18)17-12(20)13(3-6-14-7-4-13)19-8-2-5-15-19;/h2,5,8-10,14H,3-4,6-7H2,1H3,(H,17,20);1H
InChIKeyZRPHWQMZJSLHAB-UHFFFAOYSA-N
XLogP0.76
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928511
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935848
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924487
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
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-acetamido-4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921193

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120925026) is N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.Cn1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZRPHWQMZJSLHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O.ClH/c1-18-10-11(9-16-18)17-12(20)13(3-6-14-7-4-13)19-8-2-5-15-19;/h2,5,8-10,14H,3-4,6-7H2,1H3,(H,17,20);1H.
What are the key properties of N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120925026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).