4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

C24H30N6O2 — CID 121114820

IUPAC4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCc1c(C(=O)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H30N6O2/c1-17-21(16-25-30(17)20-10-4-3-5-11-20)23(31)28-14-12-18(13-15-28)22-26-27(2)24(32)29(22)19-8-6-7-9-19/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3
InChIKeyPTSXIARHMTZHHQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.21
Rot. Bonds4

About 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one

4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 121114820) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID121114820
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCc1c(C(=O)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H30N6O2/c1-17-21(16-25-30(17)20-10-4-3-5-11-20)23(31)28-14-12-18(13-15-28)22-26-27(2)24(32)29(22)19-8-6-7-9-19/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3
InChIKeyPTSXIARHMTZHHQ-UHFFFAOYSA-N
XLogP3.21
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357
4-ethyl-2-(2-methoxyethyl)-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 72717136
4-cyclopentyl-2-methyl-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114896
4-cyclopentyl-5-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121114929
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
4-cyclopentyl-2-methyl-5-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115021
(5-methyl-1-phenylpyrazol-4-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823015
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892044
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
(5-methyl-1-phenylpyrazol-4-yl)-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903755
4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540730
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one (CID 121114820) is 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is Cc1c(C(=O)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is PTSXIARHMTZHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17-21(16-25-30(17)20-10-4-3-5-11-20)23(31)28-14-12-18(13-15-28)22-26-27(2)24(32)29(22)19-8-6-7-9-19/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3.
What are the key properties of 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 434.54 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 121114820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).