1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole

C13H13ClN2 — CID 3797105

IUPAC1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole
SMILESClc1ccc(Cn2ccc(C3CC3)n2)cc1
InChIInChI=1S/C13H13ClN2/c14-12-5-1-10(2-6-12)9-16-8-7-13(15-16)11-3-4-11/h1-2,5-8,11H,3-4,9H2
InChIKeyGWHALWGJPYIOSX-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.46
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole

1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole (PubChem CID 3797105) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole
PubChem CID3797105
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole
SMILESClc1ccc(Cn2ccc(C3CC3)n2)cc1
InChIInChI=1S/C13H13ClN2/c14-12-5-1-10(2-6-12)9-16-8-7-13(15-16)11-3-4-11/h1-2,5-8,11H,3-4,9H2
InChIKeyGWHALWGJPYIOSX-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole (CID 3797105) is 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole is Clc1ccc(Cn2ccc(C3CC3)n2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole?
The InChIKey is GWHALWGJPYIOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-12-5-1-10(2-6-12)9-16-8-7-13(15-16)11-3-4-11/h1-2,5-8,11H,3-4,9H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole?
1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole has a molecular weight of 232.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-cyclopropylpyrazole is sourced from PubChem (CID 3797105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).