N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride

C16H21ClN4O — CID 119346019

IUPACN-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nccc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12-5-2-3-7-14(12)20-15(8-10-18-20)19-16(21)13-6-4-9-17-11-13;/h2-3,5,7-8,10,13,17H,4,6,9,11H2,1H3,(H,19,21);1H
InChIKeyTXWGUMLEFJAXFD-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.54
Rot. Bonds3

About N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride

N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119346019) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119346019
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nccc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12-5-2-3-7-14(12)20-15(8-10-18-20)19-16(21)13-6-4-9-17-11-13;/h2-3,5,7-8,10,13,17H,4,6,9,11H2,1H3,(H,19,21);1H
InChIKeyTXWGUMLEFJAXFD-UHFFFAOYSA-N
XLogP2.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 119822944
(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 96540089
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
CID 119286994
N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773583
N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 84598089
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119274820
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride (CID 119346019) is N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride is Cc1ccccc1-n1nccc1NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is TXWGUMLEFJAXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-12-5-2-3-7-14(12)20-15(8-10-18-20)19-16(21)13-6-4-9-17-11-13;/h2-3,5,7-8,10,13,17H,4,6,9,11H2,1H3,(H,19,21);1H.
What are the key properties of N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119346019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).