4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide

C18H23FN4O2 — CID 136526815

IUPAC4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CC(c3ccc(F)cc3)CC2C)cn1
InChIInChI=1S/C18H23FN4O2/c1-13-9-15(14-3-5-16(19)6-4-14)11-23(13)18(24)21-17-10-20-22(12-17)7-8-25-2/h3-6,10,12-13,15H,7-9,11H2,1-2H3,(H,21,24)
InChIKeyPWHQSNJMBZZAQU-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.08
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide

4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide (PubChem CID 136526815) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide
PubChem CID136526815
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CC(c3ccc(F)cc3)CC2C)cn1
InChIInChI=1S/C18H23FN4O2/c1-13-9-15(14-3-5-16(19)6-4-14)11-23(13)18(24)21-17-10-20-22(12-17)7-8-25-2/h3-6,10,12-13,15H,7-9,11H2,1-2H3,(H,21,24)
InChIKeyPWHQSNJMBZZAQU-UHFFFAOYSA-N
XLogP3.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 94156989
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94031902
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 94031186
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94031880
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 136524628
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 95979762
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61214194
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-1-carboxamide
CID 81257970

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide (CID 136526815) is 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide is COCCn1cc(NC(=O)N2CC(c3ccc(F)cc3)CC2C)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide?
The InChIKey is PWHQSNJMBZZAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-9-15(14-3-5-16(19)6-4-14)11-23(13)18(24)21-17-10-20-22(12-17)7-8-25-2/h3-6,10,12-13,15H,7-9,11H2,1-2H3,(H,21,24).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide?
4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136526815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).