5-benzhydryl-1H-pyrazole

C16H14N2 — CID 2806015

IUPAC5-benzhydryl-1H-pyrazole
SMILESc1ccc(C(c2ccccc2)c2ccn[nH]2)cc1
InChIInChI=1S/C16H14N2/c1-3-7-13(8-4-1)16(15-11-12-17-18-15)14-9-5-2-6-10-14/h1-12,16H,(H,17,18)
InChIKeyMQENKFASEBTSNQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.59
Rot. Bonds3

About 5-benzhydryl-1H-pyrazole

5-benzhydryl-1H-pyrazole (PubChem CID 2806015) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-benzhydryl-1H-pyrazole.

Molecular Properties

Compound Name5-benzhydryl-1H-pyrazole
PubChem CID2806015
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name5-benzhydryl-1H-pyrazole
SMILESc1ccc(C(c2ccccc2)c2ccn[nH]2)cc1
InChIInChI=1S/C16H14N2/c1-3-7-13(8-4-1)16(15-11-12-17-18-15)14-9-5-2-6-10-14/h1-12,16H,(H,17,18)
InChIKeyMQENKFASEBTSNQ-UHFFFAOYSA-N
XLogP3.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-1H-pyrazole?
The IUPAC name of 5-benzhydryl-1H-pyrazole (CID 2806015) is 5-benzhydryl-1H-pyrazole.
What is the SMILES notation for 5-benzhydryl-1H-pyrazole?
The canonical SMILES for 5-benzhydryl-1H-pyrazole is c1ccc(C(c2ccccc2)c2ccn[nH]2)cc1.
What is the InChIKey of 5-benzhydryl-1H-pyrazole?
The InChIKey is MQENKFASEBTSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-7-13(8-4-1)16(15-11-12-17-18-15)14-9-5-2-6-10-14/h1-12,16H,(H,17,18).
What are the key properties of 5-benzhydryl-1H-pyrazole?
5-benzhydryl-1H-pyrazole has a molecular weight of 234.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-1H-pyrazole is sourced from PubChem (CID 2806015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).