2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide

C23H26N4O — CID 55922732

IUPAC2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H26N4O/c1-18-8-5-6-11-21(18)22-12-7-15-26(22)23(28)24-14-13-19-16-25-27(17-19)20-9-3-2-4-10-20/h2-6,8-11,16-17,22H,7,12-15H2,1H3,(H,24,28)
InChIKeyKQQDDKIBWYLFMP-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.27
Rot. Bonds5

About 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide

2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 55922732) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID55922732
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H26N4O/c1-18-8-5-6-11-21(18)22-12-7-15-26(22)23(28)24-14-13-19-16-25-27(17-19)20-9-3-2-4-10-20/h2-6,8-11,16-17,22H,7,12-15H2,1H3,(H,24,28)
InChIKeyKQQDDKIBWYLFMP-UHFFFAOYSA-N
XLogP4.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
CID 136521769
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94120791
2-(2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000654
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 94121216
(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
CID 94867549
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide (CID 55922732) is 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide is Cc1ccccc1C1CCCN1C(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is KQQDDKIBWYLFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-8-5-6-11-21(18)22-12-7-15-26(22)23(28)24-14-13-19-16-25-27(17-19)20-9-3-2-4-10-20/h2-6,8-11,16-17,22H,7,12-15H2,1H3,(H,24,28).
What are the key properties of 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55922732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).