5-chloro-1-(2-methylphenyl)-3-propylpyrazole

C13H15ClN2 — CID 66022394

IUPAC5-chloro-1-(2-methylphenyl)-3-propylpyrazole
SMILESCCCc1cc(Cl)n(-c2ccccc2C)n1
InChIInChI=1S/C13H15ClN2/c1-3-6-11-9-13(14)16(15-11)12-8-5-4-7-10(12)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyVKNCNTZDRYXHIN-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-1-(2-methylphenyl)-3-propylpyrazole

5-chloro-1-(2-methylphenyl)-3-propylpyrazole (PubChem CID 66022394) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 5-chloro-1-(2-methylphenyl)-3-propylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(2-methylphenyl)-3-propylpyrazole
PubChem CID66022394
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name5-chloro-1-(2-methylphenyl)-3-propylpyrazole
SMILESCCCc1cc(Cl)n(-c2ccccc2C)n1
InChIInChI=1S/C13H15ClN2/c1-3-6-11-9-13(14)16(15-11)12-8-5-4-7-10(12)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyVKNCNTZDRYXHIN-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
CID 66020942
2-[1-(2-methylphenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409146
3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine
CID 66022243
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 2,2-diphenylacetate
CID 3896349
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
3-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]propanoic acid
CID 82159419
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 53443880
5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine
CID 142904045
1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
CID 71073515
2-[1-(2-chlorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409903

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methylphenyl)-3-propylpyrazole?
The IUPAC name of 5-chloro-1-(2-methylphenyl)-3-propylpyrazole (CID 66022394) is 5-chloro-1-(2-methylphenyl)-3-propylpyrazole.
What is the SMILES notation for 5-chloro-1-(2-methylphenyl)-3-propylpyrazole?
The canonical SMILES for 5-chloro-1-(2-methylphenyl)-3-propylpyrazole is CCCc1cc(Cl)n(-c2ccccc2C)n1.
What is the InChIKey of 5-chloro-1-(2-methylphenyl)-3-propylpyrazole?
The InChIKey is VKNCNTZDRYXHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-3-6-11-9-13(14)16(15-11)12-8-5-4-7-10(12)2/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 5-chloro-1-(2-methylphenyl)-3-propylpyrazole?
5-chloro-1-(2-methylphenyl)-3-propylpyrazole has a molecular weight of 234.73 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methylphenyl)-3-propylpyrazole is sourced from PubChem (CID 66022394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).