4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one

C12H17N5O — CID 50974327

IUPAC4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one
SMILESCCn1ccc(-c2n[nH]c(=O)n2C2CCCC2)n1
InChIInChI=1S/C12H17N5O/c1-2-16-8-7-10(15-16)11-13-14-12(18)17(11)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,18)
InChIKeyZFHAOLBLKURYIX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.57
Rot. Bonds3

About 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one

4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one (PubChem CID 50974327) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one
PubChem CID50974327
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one
SMILESCCn1ccc(-c2n[nH]c(=O)n2C2CCCC2)n1
InChIInChI=1S/C12H17N5O/c1-2-16-8-7-10(15-16)11-13-14-12(18)17(11)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,18)
InChIKeyZFHAOLBLKURYIX-UHFFFAOYSA-N
XLogP1.57
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50979020
4-ethyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-5-(3-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56705252
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-1H-imidazol-2-one
CID 134791976
4-(cyclohexylmethyl)-5-(1-methyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50957143
4-ethyl-5-(1-ethyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50966981
2-Tert-butyl-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,4-triazol-3-one
CID 127878542
3-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137204421
2-[[1-(2-Fluoroethyl)pyrazol-3-yl]methyl]-1-methyl-1,2,4-triazol-3-one
CID 167772844
2-[(1-Methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 176007576
4-ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
CID 7015932
1-Cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36508722
4-pentyl-5-(1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50958939

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one (CID 50974327) is 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one is CCn1ccc(-c2n[nH]c(=O)n2C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one?
The InChIKey is ZFHAOLBLKURYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-16-8-7-10(15-16)11-13-14-12(18)17(11)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,18).
What are the key properties of 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one?
4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 247.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50974327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).