(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone

C22H20N4O — CID 69384966

IUPAC(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone
SMILESCCc1c(Cc2ccccc2)nn(C(=O)n2cccn2)c1-c1ccccc1
InChIInChI=1S/C22H20N4O/c1-2-19-20(16-17-10-5-3-6-11-17)24-26(22(27)25-15-9-14-23-25)21(19)18-12-7-4-8-13-18/h3-15H,2,16H2,1H3
InChIKeyYDNBQFNFDXNTFC-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.42
Rot. Bonds4

About (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone

(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone (PubChem CID 69384966) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone
PubChem CID69384966
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone
SMILESCCc1c(Cc2ccccc2)nn(C(=O)n2cccn2)c1-c1ccccc1
InChIInChI=1S/C22H20N4O/c1-2-19-20(16-17-10-5-3-6-11-17)24-26(22(27)25-15-9-14-23-25)21(19)18-12-7-4-8-13-18/h3-15H,2,16H2,1H3
InChIKeyYDNBQFNFDXNTFC-UHFFFAOYSA-N
XLogP4.42
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-benzyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69383046
(4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69382435
2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
CID 10614604
4-ethyl-1-methyl-5-phenylpyrazole-3-carboxylic acid
CID 105488015
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide
CID 118384333
(5-benzyl-4-fluorotriazol-1-yl)-(triazol-1-yl)methanone
CID 90727013
4-benzyl-1-methyl-5-phenyltriazole
CID 102338119
3-benzyl-4-ethyl-1-methylpyrazole
CID 121277938
2-(benzylamino)-1-pyrazol-1-ylethanone
CID 141299759
4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
benzyl (NE)-N-(1-pyrazol-1-ylethylidene)carbamate
CID 58449600

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone (CID 69384966) is (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone is CCc1c(Cc2ccccc2)nn(C(=O)n2cccn2)c1-c1ccccc1.
What is the InChIKey of (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The InChIKey is YDNBQFNFDXNTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-19-20(16-17-10-5-3-6-11-17)24-26(22(27)25-15-9-14-23-25)21(19)18-12-7-4-8-13-18/h3-15H,2,16H2,1H3.
What are the key properties of (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone?
(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 69384966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).