3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide

C21H23N5O2 — CID 51131145

IUPAC3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)NCc3ccc(-n4cccn4)nc3)C2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-19-6-4-17(5-7-19)18-9-12-25(15-18)21(27)23-14-16-3-8-20(22-13-16)26-11-2-10-24-26/h2-8,10-11,13,18H,9,12,14-15H2,1H3,(H,23,27)
InChIKeyRIISTQFGJOMVQU-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.97
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide

3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 51131145) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
PubChem CID51131145
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)NCc3ccc(-n4cccn4)nc3)C2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-19-6-4-17(5-7-19)18-9-12-25(15-18)21(27)23-14-16-3-8-20(22-13-16)26-11-2-10-24-26/h2-8,10-11,13,18H,9,12,14-15H2,1H3,(H,23,27)
InChIKeyRIISTQFGJOMVQU-UHFFFAOYSA-N
XLogP2.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 25332321
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128774
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 167866687
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide
CID 25337635
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 70756726
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide (CID 51131145) is 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide is COc1ccc(C2CCN(C(=O)NCc3ccc(-n4cccn4)nc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is RIISTQFGJOMVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-19-6-4-17(5-7-19)18-9-12-25(15-18)21(27)23-14-16-3-8-20(22-13-16)26-11-2-10-24-26/h2-8,10-11,13,18H,9,12,14-15H2,1H3,(H,23,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide?
3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51131145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).