methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate

C14H15ClN2O2 — CID 889388

IUPACmethyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C14H15ClN2O2/c1-9-13(15)10(2)17(16-9)8-11-5-4-6-12(7-11)14(18)19-3/h4-7H,8H2,1-3H3
InChIKeyJBDVAISTHSBFHA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.99
Rot. Bonds3

About methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate

methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate (PubChem CID 889388) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate
PubChem CID889388
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Namemethyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1
InChIInChI=1S/C14H15ClN2O2/c1-9-13(15)10(2)17(16-9)8-11-5-4-6-12(7-11)14(18)19-3/h4-7H,8H2,1-3H3
InChIKeyJBDVAISTHSBFHA-UHFFFAOYSA-N
XLogP2.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]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 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoate
CID 5227819
N-[(E)-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-N-[(4-methylbenzoyl)oxy]amine
CID 9559854
Methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
CID 627975
methyl 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzenecarboxylate
CID 1485771
3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
CID 736757
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
CID 819613
4-((4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
CID 917484
N-(benzoyloxy)-N-[(E)-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amine
CID 9559849
5-chloro-4-({[(4-fluorobenzoyl)oxy]imino}methyl)-1,3-dimethyl-1H-pyrazole
CID 9559850
4-(5-Methyl-3-trifluoromethyl-pyrazol-1-ylmethyl)-benzoic acid methyl ester
CID 889232
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzoic acid
CID 4715107
Methyl 3-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]benzoate
CID 71920649

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The IUPAC name of methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate (CID 889388) is methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The canonical SMILES for methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate is COC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1.
What is the InChIKey of methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
The InChIKey is JBDVAISTHSBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-13(15)10(2)17(16-9)8-11-5-4-6-12(7-11)14(18)19-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate?
methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate has a molecular weight of 278.74 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoate is sourced from PubChem (CID 889388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).