N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C16H21ClN4O — CID 119294776

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)n(-c2cccc(NC(=O)C3CCCN3)c2)n1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-11-9-12(2)20(19-11)14-6-3-5-13(10-14)18-16(21)15-7-4-8-17-15;/h3,5-6,9-10,15,17H,4,7-8H2,1-2H3,(H,18,21);1H
InChIKeyYELBHZUTAKFKAI-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.60
Rot. Bonds3

About N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119294776) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119294776
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)n(-c2cccc(NC(=O)C3CCCN3)c2)n1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-11-9-12(2)20(19-11)14-6-3-5-13(10-14)18-16(21)15-7-4-8-17-15;/h3,5-6,9-10,15,17H,4,7-8H2,1-2H3,(H,18,21);1H
InChIKeyYELBHZUTAKFKAI-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119733243
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119733216
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894609
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 22689961
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 119289998
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119294776) is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cc(C)n(-c2cccc(NC(=O)C3CCCN3)c2)n1.Cl.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YELBHZUTAKFKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-11-9-12(2)20(19-11)14-6-3-5-13(10-14)18-16(21)15-7-4-8-17-15;/h3,5-6,9-10,15,17H,4,7-8H2,1-2H3,(H,18,21);1H.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119294776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).