1-[(2-chlorophenyl)-diphenylmethyl]pyrazole

C22H17ClN2 — CID 656734

IUPAC1-[(2-chlorophenyl)-diphenylmethyl]pyrazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1
InChIInChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
InChIKeyKBFUQFVFYYBHBT-UHFFFAOYSA-N
MW344.85 g/mol
LogP5.38
Rot. Bonds4

About 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole

1-[(2-chlorophenyl)-diphenylmethyl]pyrazole (PubChem CID 656734) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-diphenylmethyl]pyrazole
PubChem CID656734
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC Name1-[(2-chlorophenyl)-diphenylmethyl]pyrazole
SMILESClc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1
InChIInChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
InChIKeyKBFUQFVFYYBHBT-UHFFFAOYSA-N
XLogP5.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.85
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole?
The IUPAC name of 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole (CID 656734) is 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole.
What is the SMILES notation for 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole?
The canonical SMILES for 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole is Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1.
What is the InChIKey of 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole?
The InChIKey is KBFUQFVFYYBHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H.
What are the key properties of 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole?
1-[(2-chlorophenyl)-diphenylmethyl]pyrazole has a molecular weight of 344.85 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-diphenylmethyl]pyrazole is sourced from PubChem (CID 656734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).