2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C17H22N4O2 — CID 138994487

IUPAC2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NCc2cnn(C)c2)c1
InChIInChI=1S/C17H22N4O2/c1-20-12-13(11-19-20)10-18-17(22)21-8-4-7-16(21)14-5-3-6-15(9-14)23-2/h3,5-6,9,11-12,16H,4,7-8,10H2,1-2H3,(H,18,22)
InChIKeyKFJKDCWNJZWBBL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 138994487) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID138994487
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NCc2cnn(C)c2)c1
InChIInChI=1S/C17H22N4O2/c1-20-12-13(11-19-20)10-18-17(22)21-8-4-7-16(21)14-5-3-6-15(9-14)23-2/h3,5-6,9,11-12,16H,4,7-8,10H2,1-2H3,(H,18,22)
InChIKeyKFJKDCWNJZWBBL-UHFFFAOYSA-N
XLogP2.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 146122949
(2S)-N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076830
2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 51084199
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 119065873
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94120134
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124572131
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
N-(5-hydroxy-4,4-dimethylpentyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 111755058
N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205678
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94120791
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 138994487) is 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is COc1cccc(C2CCCN2C(=O)NCc2cnn(C)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is KFJKDCWNJZWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-12-13(11-19-20)10-18-17(22)21-8-4-7-16(21)14-5-3-6-15(9-14)23-2/h3,5-6,9,11-12,16H,4,7-8,10H2,1-2H3,(H,18,22).
What are the key properties of 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138994487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).