1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

C12H17N5O — CID 105112177

IUPAC1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCn1ncnc1CC(=O)c1cnn(C)c1C
InChIInChI=1S/C12H17N5O/c1-4-5-17-12(13-8-15-17)6-11(18)10-7-14-16(3)9(10)2/h7-8H,4-6H2,1-3H3
InChIKeyAIDAAQRCQMKTHU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.16
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 105112177) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
PubChem CID105112177
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCn1ncnc1CC(=O)c1cnn(C)c1C
InChIInChI=1S/C12H17N5O/c1-4-5-17-12(13-8-15-17)6-11(18)10-7-14-16(3)9(10)2/h7-8H,4-6H2,1-3H3
InChIKeyAIDAAQRCQMKTHU-UHFFFAOYSA-N
XLogP1.16
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
1-(4-chloro-2,5-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 115780095
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 105112194
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105112201
1-(3,5-dichloro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 79786943
3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)but-3-en-2-one
CID 103446445
1-(2-propyl-1,2,4-triazol-3-yl)heptan-2-one
CID 115779985
(E)-1-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103453420
(E)-1-(2-propyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103454304
ethyl 4-oxo-5-(2-propyl-1,2,4-triazol-3-yl)pentanoate
CID 112744630
3-methyl-3-(methylamino)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116566382
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 107501507

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (CID 105112177) is 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is CCCn1ncnc1CC(=O)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is AIDAAQRCQMKTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-5-17-12(13-8-15-17)6-11(18)10-7-14-16(3)9(10)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 247.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 105112177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).