methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate

C14H14ClN3O3 — CID 134048539

IUPACmethyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C(C)n2cccn2)c1
InChIInChI=1S/C14H14ClN3O3/c1-9(18-7-3-6-16-18)13(19)17-12-8-10(14(20)21-2)4-5-11(12)15/h3-9H,1-2H3,(H,17,19)
InChIKeyUUQZRAUTRFAGHL-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.52
Rot. Bonds4

About methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate

methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate (PubChem CID 134048539) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate
PubChem CID134048539
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Namemethyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C(C)n2cccn2)c1
InChIInChI=1S/C14H14ClN3O3/c1-9(18-7-3-6-16-18)13(19)17-12-8-10(14(20)21-2)4-5-11(12)15/h3-9H,1-2H3,(H,17,19)
InChIKeyUUQZRAUTRFAGHL-UHFFFAOYSA-N
XLogP2.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate 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 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoate
CID 42887736
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107
N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42884870
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 98667710
N-(6-chloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113262980
methyl 4-chloro-3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]benzoate
CID 38018063
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108987050

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate?
The IUPAC name of methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate (CID 134048539) is methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate.
What is the SMILES notation for methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate?
The canonical SMILES for methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate is COC(=O)c1ccc(Cl)c(NC(=O)C(C)n2cccn2)c1.
What is the InChIKey of methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate?
The InChIKey is UUQZRAUTRFAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9(18-7-3-6-16-18)13(19)17-12-8-10(14(20)21-2)4-5-11(12)15/h3-9H,1-2H3,(H,17,19).
What are the key properties of methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate?
methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate has a molecular weight of 307.74 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate is sourced from PubChem (CID 134048539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).