2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

C16H17N3O3 — CID 126786946

IUPAC2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1ccccc1C1(C(=O)Nc2ccn(CC(=O)O)n2)CC1
InChIInChI=1S/C16H17N3O3/c1-11-4-2-3-5-12(11)16(7-8-16)15(22)17-13-6-9-19(18-13)10-14(20)21/h2-6,9H,7-8,10H2,1H3,(H,20,21)(H,17,18,22)
InChIKeyXCEIDHWEBHZWTB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.95
Rot. Bonds5

About 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 126786946) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID126786946
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1ccccc1C1(C(=O)Nc2ccn(CC(=O)O)n2)CC1
InChIInChI=1S/C16H17N3O3/c1-11-4-2-3-5-12(11)16(7-8-16)15(22)17-13-6-9-19(18-13)10-14(20)21/h2-6,9H,7-8,10H2,1H3,(H,20,21)(H,17,18,22)
InChIKeyXCEIDHWEBHZWTB-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]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-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119230634
2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231028
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231223
2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 129380619
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
CID 120524711
2-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500485
2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
CID 119231284
2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230954

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (CID 126786946) is 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is Cc1ccccc1C1(C(=O)Nc2ccn(CC(=O)O)n2)CC1.
What is the InChIKey of 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is XCEIDHWEBHZWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-4-2-3-5-12(11)16(7-8-16)15(22)17-13-6-9-19(18-13)10-14(20)21/h2-6,9H,7-8,10H2,1H3,(H,20,21)(H,17,18,22).
What are the key properties of 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126786946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).