2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide

C19H26N4O2 — CID 84595420

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC2c2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C19H26N4O2/c1-12-10-15(7-8-17(12)25-4)11-20-19(24)23-9-5-6-16(23)18-13(2)21-22-14(18)3/h7-8,10,16H,5-6,9,11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyWYKOOHSDOVNILL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.39
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 84595420) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID84595420
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC2c2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C19H26N4O2/c1-12-10-15(7-8-17(12)25-4)11-20-19(24)23-9-5-6-16(23)18-13(2)21-22-14(18)3/h7-8,10,16H,5-6,9,11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyWYKOOHSDOVNILL-UHFFFAOYSA-N
XLogP3.39
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-1-carboxamide
CID 99820945
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 97158372
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide
CID 97333226
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]azepane-1-carboxamide
CID 75501107
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepane-1-carboxamide
CID 98574743
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-1-carboxamide
CID 75519025
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 97333197
(2S)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94171528
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpropanoylamino)ethyl]azepane-1-carboxamide
CID 98574717
2-(3,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86929184
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97333211
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide (CID 84595420) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC2c2c(C)n[nH]c2C)cc1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is WYKOOHSDOVNILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-10-15(7-8-17(12)25-4)11-20-19(24)23-9-5-6-16(23)18-13(2)21-22-14(18)3/h7-8,10,16H,5-6,9,11H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 84595420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).