3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one

C19H30N6O — CID 97254692

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C19H30N6O/c1-13(2)11-25-15(4)16(14(3)23-25)8-9-18(26)24-10-6-5-7-17(24)19-20-12-21-22-19/h12-13,17H,5-11H2,1-4H3,(H,20,21,22)/t17-/m1/s1
InChIKeyKUUBCHVAOZWSKQ-QGZVFWFLSA-N
MW358.49 g/mol
LogP2.96
Rot. Bonds6

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 97254692) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID97254692
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C19H30N6O/c1-13(2)11-25-15(4)16(14(3)23-25)8-9-18(26)24-10-6-5-7-17(24)19-20-12-21-22-19/h12-13,17H,5-11H2,1-4H3,(H,20,21,22)/t17-/m1/s1
InChIKeyKUUBCHVAOZWSKQ-QGZVFWFLSA-N
XLogP2.96
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one;hydrochloride
CID 119633381
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 37041317
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119650956
1-(4-cyclopentylpiperazin-1-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 134020714
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51926980
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-piperazin-1-ylpropan-1-one
CID 119402581
(5-methyl-1-pentan-3-ylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 122135234
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 120736336
1-[2-(aminomethyl)piperidin-1-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 119468227
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993946
4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperazin-2-one
CID 31097234
(5-oxopyrrolidin-2-yl)methyl 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate
CID 78842237

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one (CID 97254692) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one is Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ncn[nH]1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is KUUBCHVAOZWSKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N6O/c1-13(2)11-25-15(4)16(14(3)23-25)8-9-18(26)24-10-6-5-7-17(24)19-20-12-21-22-19/h12-13,17H,5-11H2,1-4H3,(H,20,21,22)/t17-/m1/s1.
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 358.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97254692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).