2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

C13H13ClN4O2 — CID 82366580

IUPAC2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(-n2nnnc2C2CC2C(=O)O)c(Cl)c1
InChIInChI=1S/C13H13ClN4O2/c1-6-3-7(2)11(10(14)4-6)18-12(15-16-17-18)8-5-9(8)13(19)20/h3-4,8-9H,5H2,1-2H3,(H,19,20)
InChIKeyBSENGLMFUPCZKY-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.12
Rot. Bonds3

About 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82366580) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82366580
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(-n2nnnc2C2CC2C(=O)O)c(Cl)c1
InChIInChI=1S/C13H13ClN4O2/c1-6-3-7(2)11(10(14)4-6)18-12(15-16-17-18)8-5-9(8)13(19)20/h3-4,8-9H,5H2,1-2H3,(H,19,20)
InChIKeyBSENGLMFUPCZKY-UHFFFAOYSA-N
XLogP2.12
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic 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-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366590
2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366648
2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366576
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366586
2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366630
2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366637
trans-(1R,2R)-2-(3-bromo-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 154832497
5-methyl-1-(2,4,6-trimethylphenyl)tetrazole
CID 91441671
4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine
CID 142350924
N-(2-chloro-5-methylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11574920
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
N-[(3Z)-4-chlorohexa-1,3,5-trien-3-yl]-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 88894530

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (CID 82366580) is 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is Cc1cc(C)c(-n2nnnc2C2CC2C(=O)O)c(Cl)c1.
What is the InChIKey of 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is BSENGLMFUPCZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-6-3-7(2)11(10(14)4-6)18-12(15-16-17-18)8-5-9(8)13(19)20/h3-4,8-9H,5H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 292.73 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82366580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).