methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate

C16H19N3O2 — CID 62027872

IUPACmethyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)15-4-2-10-18(15)12-13-5-7-14(8-6-13)19-11-3-9-17-19/h3,5-9,11,15H,2,4,10,12H2,1H3
InChIKeyCOOXPWKESMRNHV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds4

About methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate

methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 62027872) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
PubChem CID62027872
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)15-4-2-10-18(15)12-13-5-7-14(8-6-13)19-11-3-9-17-19/h3,5-9,11,15H,2,4,10,12H2,1H3
InChIKeyCOOXPWKESMRNHV-UHFFFAOYSA-N
XLogP2.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate 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

methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 81492961
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 63382595
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 102784560
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate (CID 62027872) is methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is COOXPWKESMRNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-16(20)15-4-2-10-18(15)12-13-5-7-14(8-6-13)19-11-3-9-17-19/h3,5-9,11,15H,2,4,10,12H2,1H3.
What are the key properties of methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62027872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).