3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid

C16H19N3O2 — CID 102784560

IUPAC3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(Cc2ccc(-n3cccn3)cc2)C1C(=O)O
InChIInChI=1S/C16H19N3O2/c1-12-7-10-18(15(12)16(20)21)11-13-3-5-14(6-4-13)19-9-2-8-17-19/h2-6,8-9,12,15H,7,10-11H2,1H3,(H,20,21)
InChIKeyBODAKOXCSIHCSQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.17
Rot. Bonds4

About 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 102784560) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID102784560
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(Cc2ccc(-n3cccn3)cc2)C1C(=O)O
InChIInChI=1S/C16H19N3O2/c1-12-7-10-18(15(12)16(20)21)11-13-3-5-14(6-4-13)19-9-2-8-17-19/h2-6,8-9,12,15H,7,10-11H2,1H3,(H,20,21)
InChIKeyBODAKOXCSIHCSQ-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid 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

3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784885
1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784435
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-[[4-(dimethylamino)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787496
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787029
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 81492961
4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 103576557
2-[1-[(4-pyrazol-1-ylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116683944
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 102784560) is 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid is CC1CCN(Cc2ccc(-n3cccn3)cc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BODAKOXCSIHCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-7-10-18(15(12)16(20)21)11-13-3-5-14(6-4-13)19-9-2-8-17-19/h2-6,8-9,12,15H,7,10-11H2,1H3,(H,20,21).
What are the key properties of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102784560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).