(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone

C22H18N2O — CID 2841175

IUPAC(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C22H18N2O/c25-22(19-14-8-3-9-15-19)24-21(18-12-6-2-7-13-18)16-20(23-24)17-10-4-1-5-11-17/h1-15,21H,16H2
InChIKeyBCJMDIDQGYWIAO-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.68
Rot. Bonds3

About (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone

(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone (PubChem CID 2841175) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone
PubChem CID2841175
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C22H18N2O/c25-22(19-14-8-3-9-15-19)24-21(18-12-6-2-7-13-18)16-20(23-24)17-10-4-1-5-11-17/h1-15,21H,16H2
InChIKeyBCJMDIDQGYWIAO-UHFFFAOYSA-N
XLogP4.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The IUPAC name of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone (CID 2841175) is (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone.
What is the SMILES notation for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The canonical SMILES for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
The InChIKey is BCJMDIDQGYWIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-22(19-14-8-3-9-15-19)24-21(18-12-6-2-7-13-18)16-20(23-24)17-10-4-1-5-11-17/h1-15,21H,16H2.
What are the key properties of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone?
(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone has a molecular weight of 326.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone is sourced from PubChem (CID 2841175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).