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

C20H24N4O — CID 69382435

IUPAC(4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone
SMILESCCCc1nn(C(=O)n2cccn2)c(C(C)C)c1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c1-4-9-18-17(14-16-10-6-5-7-11-16)19(15(2)3)24(22-18)20(25)23-13-8-12-21-23/h5-8,10-13,15H,4,9,14H2,1-3H3
InChIKeyZTBWCFZUOKRWHR-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.26
Rot. Bonds5

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

(4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone (PubChem CID 69382435) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone
PubChem CID69382435
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone
SMILESCCCc1nn(C(=O)n2cccn2)c(C(C)C)c1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c1-4-9-18-17(14-16-10-6-5-7-11-16)19(15(2)3)24(22-18)20(25)23-13-8-12-21-23/h5-8,10-13,15H,4,9,14H2,1-3H3
InChIKeyZTBWCFZUOKRWHR-UHFFFAOYSA-N
XLogP4.26
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.26
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
(3-ethyl-4,5-dipropylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69385914
(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69384966
(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
ethyl 4-benzyl-5-oxo-3-propan-2-yl-1H-pyrazole-2-carboxylate
CID 67349738
benzyl (NE)-N-(1-pyrazol-1-ylethylidene)carbamate
CID 58449600
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
[3-benzyl-5-(2-methylpropyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381260
N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide
CID 110168746
(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
CID 43333639

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone (CID 69382435) is (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone is CCCc1nn(C(=O)n2cccn2)c(C(C)C)c1Cc1ccccc1.
What is the InChIKey of (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone?
The InChIKey is ZTBWCFZUOKRWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-9-18-17(14-16-10-6-5-7-11-16)19(15(2)3)24(22-18)20(25)23-13-8-12-21-23/h5-8,10-13,15H,4,9,14H2,1-3H3.
What are the key properties of (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone?
(4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone has a molecular weight of 336.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-5-propan-2-yl-3-propylpyrazol-1-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 69382435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).