1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone

C15H23N5O — CID 82699599

IUPAC1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
SMILESCCc1nn(Cc2ncnn2C(C)C)c(CC)c1C(C)=O
InChIInChI=1S/C15H23N5O/c1-6-12-15(11(5)21)13(7-2)19(18-12)8-14-16-9-17-20(14)10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyXOMYKNYEPBIDBK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.43
Rot. Bonds6

About 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone

1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone (PubChem CID 82699599) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
PubChem CID82699599
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
SMILESCCc1nn(Cc2ncnn2C(C)C)c(CC)c1C(C)=O
InChIInChI=1S/C15H23N5O/c1-6-12-15(11(5)21)13(7-2)19(18-12)8-14-16-9-17-20(14)10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyXOMYKNYEPBIDBK-UHFFFAOYSA-N
XLogP2.43
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone with MolForge

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Related Compounds

methyl 5-ethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylate
CID 103105834
1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone
CID 82697422
1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 82699587
1-[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanone
CID 115984290
ethyl 1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]tetrazole-5-carboxylate
CID 79318323
5-(ethylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103219189
1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 105110386
1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one
CID 82698096
5-oxo-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 83193195
5-[[4-(chloromethyl)-3,5-diethylpyrazol-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 82700774
5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79543047
N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82700032

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone (CID 82699599) is 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone is CCc1nn(Cc2ncnn2C(C)C)c(CC)c1C(C)=O.
What is the InChIKey of 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone?
The InChIKey is XOMYKNYEPBIDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-6-12-15(11(5)21)13(7-2)19(18-12)8-14-16-9-17-20(14)10(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone?
1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 82699599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).