(2-methylphenyl) 4-chloropyrazole-1-carboxylate

C11H9ClN2O2 — CID 171985807

IUPAC(2-methylphenyl) 4-chloropyrazole-1-carboxylate
SMILESCc1ccccc1OC(=O)n1cc(Cl)cn1
InChIInChI=1S/C11H9ClN2O2/c1-8-4-2-3-5-10(8)16-11(15)14-7-9(12)6-13-14/h2-7H,1H3
InChIKeyYPFVRJMBAJBVBR-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.89
Rot. Bonds1

About (2-methylphenyl) 4-chloropyrazole-1-carboxylate

(2-methylphenyl) 4-chloropyrazole-1-carboxylate (PubChem CID 171985807) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is (2-methylphenyl) 4-chloropyrazole-1-carboxylate.

Molecular Properties

Compound Name(2-methylphenyl) 4-chloropyrazole-1-carboxylate
PubChem CID171985807
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name(2-methylphenyl) 4-chloropyrazole-1-carboxylate
SMILESCc1ccccc1OC(=O)n1cc(Cl)cn1
InChIInChI=1S/C11H9ClN2O2/c1-8-4-2-3-5-10(8)16-11(15)14-7-9(12)6-13-14/h2-7H,1H3
InChIKeyYPFVRJMBAJBVBR-UHFFFAOYSA-N
XLogP2.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methylphenyl) 4-chloropyrazole-1-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

N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
CID 19331958
(2-methylphenyl) 1-methylpyrazole-4-carboxylate
CID 78817311
2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
CID 115038747
3-(4-chloropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]propanamide
CID 19539558
(2-methylphenyl) 2-aminoprop-2-enoate
CID 174884236
(2-methylphenyl) 4-methylpentanoate
CID 78776879
(2-methylphenyl) N-(1-hydroxyethyl)carbamate
CID 175546454
N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
(2-methylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819303
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
1-O-(2-methylphenyl) 5-O-(2,4,6-trichlorophenyl) pentanedioate
CID 91733488
(2-methylphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 70127362

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 4-chloropyrazole-1-carboxylate?
The IUPAC name of (2-methylphenyl) 4-chloropyrazole-1-carboxylate (CID 171985807) is (2-methylphenyl) 4-chloropyrazole-1-carboxylate.
What is the SMILES notation for (2-methylphenyl) 4-chloropyrazole-1-carboxylate?
The canonical SMILES for (2-methylphenyl) 4-chloropyrazole-1-carboxylate is Cc1ccccc1OC(=O)n1cc(Cl)cn1.
What is the InChIKey of (2-methylphenyl) 4-chloropyrazole-1-carboxylate?
The InChIKey is YPFVRJMBAJBVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-8-4-2-3-5-10(8)16-11(15)14-7-9(12)6-13-14/h2-7H,1H3.
What are the key properties of (2-methylphenyl) 4-chloropyrazole-1-carboxylate?
(2-methylphenyl) 4-chloropyrazole-1-carboxylate has a molecular weight of 236.66 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 4-chloropyrazole-1-carboxylate is sourced from PubChem (CID 171985807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).