N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide

C21H30N4O — CID 55929291

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)N2CCCC2c2ccccc2C)n1
InChIInChI=1S/C21H30N4O/c1-15(14-25-18(4)12-17(3)23-25)13-22-21(26)24-11-7-10-20(24)19-9-6-5-8-16(19)2/h5-6,8-9,12,15,20H,7,10-11,13-14H2,1-4H3,(H,22,26)
InChIKeyWTZFXPGRIJJSEP-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.99
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 55929291) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID55929291
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)N2CCCC2c2ccccc2C)n1
InChIInChI=1S/C21H30N4O/c1-15(14-25-18(4)12-17(3)23-25)13-22-21(26)24-11-7-10-20(24)19-9-6-5-8-16(19)2/h5-6,8-9,12,15,20H,7,10-11,13-14H2,1-4H3,(H,22,26)
InChIKeyWTZFXPGRIJJSEP-UHFFFAOYSA-N
XLogP3.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51960032
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 87007925
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 75613660
(1R,8S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 95237463
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 56799999
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119580
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 94031608
(2R)-2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 94196270
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330063
3-chloro-2-methyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 62727967

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 55929291) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)N2CCCC2c2ccccc2C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is WTZFXPGRIJJSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15(14-25-18(4)12-17(3)23-25)13-22-21(26)24-11-7-10-20(24)19-9-6-5-8-16(19)2/h5-6,8-9,12,15,20H,7,10-11,13-14H2,1-4H3,(H,22,26).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 55929291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).