4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole

C13H11ClN4 — CID 118864360

IUPAC4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESClc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1
InChIInChI=1S/C13H11ClN4/c14-12-3-1-10(2-4-12)11-7-16-18(8-11)9-13-5-6-15-17-13/h1-8H,9H2,(H,15,17)
InChIKeyONBFZEJYXQDCRE-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.97
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole

4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 118864360) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID118864360
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESClc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1
InChIInChI=1S/C13H11ClN4/c14-12-3-1-10(2-4-12)11-7-16-18(8-11)9-13-5-6-15-17-13/h1-8H,9H2,(H,15,17)
InChIKeyONBFZEJYXQDCRE-UHFFFAOYSA-N
XLogP2.97
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 118864360) is 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole is Clc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is ONBFZEJYXQDCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-12-3-1-10(2-4-12)11-7-16-18(8-11)9-13-5-6-15-17-13/h1-8H,9H2,(H,15,17).
What are the key properties of 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole?
4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole has a molecular weight of 258.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 118864360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).