4-benzhydryl-1H-pyrazole

C16H14N2 — CID 15236834

IUPAC4-benzhydryl-1H-pyrazole
SMILESc1ccc(C(c2ccccc2)c2cn[nH]c2)cc1
InChIInChI=1S/C16H14N2/c1-3-7-13(8-4-1)16(15-11-17-18-12-15)14-9-5-2-6-10-14/h1-12,16H,(H,17,18)
InChIKeySSUIIXGMVCDOMM-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.59
Rot. Bonds3

About 4-benzhydryl-1H-pyrazole

4-benzhydryl-1H-pyrazole (PubChem CID 15236834) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-benzhydryl-1H-pyrazole.

Molecular Properties

Compound Name4-benzhydryl-1H-pyrazole
PubChem CID15236834
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-benzhydryl-1H-pyrazole
SMILESc1ccc(C(c2ccccc2)c2cn[nH]c2)cc1
InChIInChI=1S/C16H14N2/c1-3-7-13(8-4-1)16(15-11-17-18-12-15)14-9-5-2-6-10-14/h1-12,16H,(H,17,18)
InChIKeySSUIIXGMVCDOMM-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 4-benzhydryl-1H-pyrazole?
The IUPAC name of 4-benzhydryl-1H-pyrazole (CID 15236834) is 4-benzhydryl-1H-pyrazole.
What is the SMILES notation for 4-benzhydryl-1H-pyrazole?
The canonical SMILES for 4-benzhydryl-1H-pyrazole is c1ccc(C(c2ccccc2)c2cn[nH]c2)cc1.
What is the InChIKey of 4-benzhydryl-1H-pyrazole?
The InChIKey is SSUIIXGMVCDOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-7-13(8-4-1)16(15-11-17-18-12-15)14-9-5-2-6-10-14/h1-12,16H,(H,17,18).
What are the key properties of 4-benzhydryl-1H-pyrazole?
4-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 4-benzhydryl-1H-pyrazole is sourced from PubChem (CID 15236834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).