3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C15H19ClN4O — CID 119702351

IUPAC3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2ccc(-n3cccn3)cc2)CCNC1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-15(7-9-16-11-15)14(20)18-12-3-5-13(6-4-12)19-10-2-8-17-19;/h2-6,8,10,16H,7,9,11H2,1H3,(H,18,20);1H
InChIKeyVLYDPQNFODAUKL-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.23
Rot. Bonds3

About 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride

3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119702351) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119702351
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2ccc(-n3cccn3)cc2)CCNC1.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-15(7-9-16-11-15)14(20)18-12-3-5-13(6-4-12)19-10-2-8-17-19;/h2-6,8,10,16H,7,9,11H2,1H3,(H,18,20);1H
InChIKeyVLYDPQNFODAUKL-UHFFFAOYSA-N
XLogP2.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
CID 63130247
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403
2-methyl-2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 80549555
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
(E)-3-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119702351) is 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)Nc2ccc(-n3cccn3)cc2)CCNC1.Cl.
What is the InChIKey of 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is VLYDPQNFODAUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c1-15(7-9-16-11-15)14(20)18-12-3-5-13(6-4-12)19-10-2-8-17-19;/h2-6,8,10,16H,7,9,11H2,1H3,(H,18,20);1H.
What are the key properties of 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119702351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).