(3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone

C23H22N4O — CID 69383046

IUPAC(3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone
SMILESCC(C)c1c(-c2ccccc2)c(Cc2ccccc2)nn1C(=O)n1cccn1
InChIInChI=1S/C23H22N4O/c1-17(2)22-21(19-12-7-4-8-13-19)20(16-18-10-5-3-6-11-18)25-27(22)23(28)26-15-9-14-24-26/h3-15,17H,16H2,1-2H3
InChIKeyWKLBAACPOORVFS-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.98
Rot. Bonds4

About (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone

(3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone (PubChem CID 69383046) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone
PubChem CID69383046
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone
SMILESCC(C)c1c(-c2ccccc2)c(Cc2ccccc2)nn1C(=O)n1cccn1
InChIInChI=1S/C23H22N4O/c1-17(2)22-21(19-12-7-4-8-13-19)20(16-18-10-5-3-6-11-18)25-27(22)23(28)26-15-9-14-24-26/h3-15,17H,16H2,1-2H3
InChIKeyWKLBAACPOORVFS-UHFFFAOYSA-N
XLogP4.98
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69382435
(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69384966
(3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69385914
(5-benzyl-4-propan-2-yltriazol-1-yl)-(triazol-1-yl)methanone
CID 91052531
(5-benzyl-4-fluorotriazol-1-yl)-(triazol-1-yl)methanone
CID 90727013
N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide
CID 118384333
1-(2-benzyl-4-phenyl-5-propan-2-yl-1H-pyrrol-3-yl)-2-methylpropan-1-one
CID 53440409
[3-benzyl-5-(2-methylpropyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381260
2-(benzylamino)-1-pyrazol-1-ylethanone
CID 141299759
2-anilino-1-pyrazol-1-ylpropan-1-one
CID 141299756
benzyl (NE)-N-(1-pyrazol-1-ylethylidene)carbamate
CID 58449600
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone (CID 69383046) is (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone is CC(C)c1c(-c2ccccc2)c(Cc2ccccc2)nn1C(=O)n1cccn1.
What is the InChIKey of (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The InChIKey is WKLBAACPOORVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17(2)22-21(19-12-7-4-8-13-19)20(16-18-10-5-3-6-11-18)25-27(22)23(28)26-15-9-14-24-26/h3-15,17H,16H2,1-2H3.
What are the key properties of (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone?
(3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone has a molecular weight of 370.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 69383046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).