2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one

C13H18N6O — CID 121165072

IUPAC2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(n2nccn2)CC1)n1cccn1
InChIInChI=1S/C13H18N6O/c1-11(18-8-2-5-14-18)13(20)17-9-3-12(4-10-17)19-15-6-7-16-19/h2,5-8,11-12H,3-4,9-10H2,1H3
InChIKeyAIJREFFPMLSTCS-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.90
Rot. Bonds3

About 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one

2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 121165072) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID121165072
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(n2nccn2)CC1)n1cccn1
InChIInChI=1S/C13H18N6O/c1-11(18-8-2-5-14-18)13(20)17-9-3-12(4-10-17)19-15-6-7-16-19/h2,5-8,11-12H,3-4,9-10H2,1H3
InChIKeyAIJREFFPMLSTCS-UHFFFAOYSA-N
XLogP0.90
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-pyrazol-1-yl-1-[4-(triazol-2-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-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 80552288
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 112630605
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyrazol-1-ylpropan-1-one
CID 81426063
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317777
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 113268931
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120818010
1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
CID 129493584
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]acetonitrile
CID 113246506
1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122336193

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one (CID 121165072) is 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCC(n2nccn2)CC1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is AIJREFFPMLSTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-11(18-8-2-5-14-18)13(20)17-9-3-12(4-10-17)19-15-6-7-16-19/h2,5-8,11-12H,3-4,9-10H2,1H3.
What are the key properties of 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one?
2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 274.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 121165072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).