2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid

C14H15N3O3 — CID 115461220

IUPAC2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid
SMILESCNC(=O)c1ccn(Cc2ccccc2CC(=O)O)n1
InChIInChI=1S/C14H15N3O3/c1-15-14(20)12-6-7-17(16-12)9-11-5-3-2-4-10(11)8-13(18)19/h2-7H,8-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyURMISWZAWQOPPO-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.92
Rot. Bonds5

About 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid

2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid (PubChem CID 115461220) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid
PubChem CID115461220
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid
SMILESCNC(=O)c1ccn(Cc2ccccc2CC(=O)O)n1
InChIInChI=1S/C14H15N3O3/c1-15-14(20)12-6-7-17(16-12)9-11-5-3-2-4-10(11)8-13(18)19/h2-7H,8-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyURMISWZAWQOPPO-UHFFFAOYSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic 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

2-[4-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]propanoic acid
CID 105345457
N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
pentapotassium;gadolinium(3+);bis(1-[[2,4,5-tris[(3-carboxylatopyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxylate)
CID 11981372
methyl 2-bromo-3-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate
CID 81099400
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-3-carboxamide
CID 163927785
2-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64781141
3-[2-[3-(methylcarbamoyl)pyrazol-1-yl]ethoxy]benzoic acid
CID 64777607
4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64779954
2-[2-[(3-amino-4-chloropyrazol-1-yl)methyl]phenyl]acetic acid
CID 113314556
N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64781367

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid (CID 115461220) is 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid is CNC(=O)c1ccn(Cc2ccccc2CC(=O)O)n1.
What is the InChIKey of 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid?
The InChIKey is URMISWZAWQOPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-15-14(20)12-6-7-17(16-12)9-11-5-3-2-4-10(11)8-13(18)19/h2-7H,8-9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid?
2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 115461220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).