3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide

C19H23N7O — CID 121496221

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(C2CCN(C(=O)NCc3ccccc3-n3cncn3)C2)n1
InChIInChI=1S/C19H23N7O/c1-14-9-15(2)26(23-14)17-7-8-24(11-17)19(27)21-10-16-5-3-4-6-18(16)25-13-20-12-22-25/h3-6,9,12-13,17H,7-8,10-11H2,1-2H3,(H,21,27)
InChIKeyNJQQKAVGTCFEQX-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.24
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide

3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 121496221) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID121496221
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(C2CCN(C(=O)NCc3ccccc3-n3cncn3)C2)n1
InChIInChI=1S/C19H23N7O/c1-14-9-15(2)26(23-14)17-7-8-24(11-17)19(27)21-10-16-5-3-4-6-18(16)25-13-20-12-22-25/h3-6,9,12-13,17H,7-8,10-11H2,1-2H3,(H,21,27)
InChIKeyNJQQKAVGTCFEQX-UHFFFAOYSA-N
XLogP2.24
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 126439088
(3R)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068501
(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068500
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 131893713
N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
N'-cyclopentyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]butanediamide
CID 46995343
3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 56822123
1-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 97271132
2-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 70737171
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-indolizin-3-ylmethanone
CID 162628843
3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56756653
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95978642

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 121496221) is 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide is Cc1cc(C)n(C2CCN(C(=O)NCc3ccccc3-n3cncn3)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is NJQQKAVGTCFEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14-9-15(2)26(23-14)17-7-8-24(11-17)19(27)21-10-16-5-3-4-6-18(16)25-13-20-12-22-25/h3-6,9,12-13,17H,7-8,10-11H2,1-2H3,(H,21,27).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 121496221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).