2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide

C23H26N4O2 — CID 55833259

IUPAC2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C23H26N4O2/c1-18-7-2-3-10-21(18)22-11-5-14-27(22)23(28)25-19-8-4-9-20(17-19)29-16-15-26-13-6-12-24-26/h2-4,6-10,12-13,17,22H,5,11,14-16H2,1H3,(H,25,28)
InChIKeyVGVSFXTTYLGGNG-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.64
Rot. Bonds6

About 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide

2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 55833259) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID55833259
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C23H26N4O2/c1-18-7-2-3-10-21(18)22-11-5-14-27(22)23(28)25-19-8-4-9-20(17-19)29-16-15-26-13-6-12-24-26/h2-4,6-10,12-13,17,22H,5,11,14-16H2,1H3,(H,25,28)
InChIKeyVGVSFXTTYLGGNG-UHFFFAOYSA-N
XLogP4.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 47050883
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51963079
4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55836464
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995
(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 94164440
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 136576931
3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55854748

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide (CID 55833259) is 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide is Cc1ccccc1C1CCCN1C(=O)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VGVSFXTTYLGGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-7-2-3-10-21(18)22-11-5-14-27(22)23(28)25-19-8-4-9-20(17-19)29-16-15-26-13-6-12-24-26/h2-4,6-10,12-13,17,22H,5,11,14-16H2,1H3,(H,25,28).
What are the key properties of 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide?
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55833259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).