(4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole

C18H18N2 — CID 94037143

IUPAC(4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole
SMILESCC1=NN=C(c2ccccc2)[C@]1(C)Cc1ccccc1
InChIInChI=1S/C18H18N2/c1-14-18(2,13-15-9-5-3-6-10-15)17(20-19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3/t18-/m1/s1
InChIKeyPUFBWZONMYZBPE-GOSISDBHSA-N
MW262.36 g/mol
LogP4.11
Rot. Bonds3

About (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole

(4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole (PubChem CID 94037143) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole.

Molecular Properties

Compound Name(4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole
PubChem CID94037143
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name(4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole
SMILESCC1=NN=C(c2ccccc2)[C@]1(C)Cc1ccccc1
InChIInChI=1S/C18H18N2/c1-14-18(2,13-15-9-5-3-6-10-15)17(20-19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3/t18-/m1/s1
InChIKeyPUFBWZONMYZBPE-GOSISDBHSA-N
XLogP4.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole?
The IUPAC name of (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole (CID 94037143) is (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole.
What is the SMILES notation for (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole?
The canonical SMILES for (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole is CC1=NN=C(c2ccccc2)[C@]1(C)Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole?
The InChIKey is PUFBWZONMYZBPE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18N2/c1-14-18(2,13-15-9-5-3-6-10-15)17(20-19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole?
(4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole has a molecular weight of 262.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3,4-dimethyl-5-phenylpyrazole is sourced from PubChem (CID 94037143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).