3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one

C14H20N6O — CID 103023689

IUPAC3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2cn(C3CCNCC3)nn2)cn1
InChIInChI=1S/C14H20N6O/c1-19-9-11(8-16-19)2-3-14(21)13-10-20(18-17-13)12-4-6-15-7-5-12/h8-10,12,15H,2-7H2,1H3
InChIKeyBZXRYBZWHMGVJF-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.75
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one

3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one (PubChem CID 103023689) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
PubChem CID103023689
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2cn(C3CCNCC3)nn2)cn1
InChIInChI=1S/C14H20N6O/c1-19-9-11(8-16-19)2-3-14(21)13-10-20(18-17-13)12-4-6-15-7-5-12/h8-10,12,15H,2-7H2,1H3
InChIKeyBZXRYBZWHMGVJF-UHFFFAOYSA-N
XLogP0.75
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567852
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74237642
2-(4-bromophenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567853
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 157434152
3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
CID 103023696
2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567860
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
CID 30876971
2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 162016532
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one (CID 103023689) is 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one is Cn1cc(CCC(=O)c2cn(C3CCNCC3)nn2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one?
The InChIKey is BZXRYBZWHMGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-9-11(8-16-19)2-3-14(21)13-10-20(18-17-13)12-4-6-15-7-5-12/h8-10,12,15H,2-7H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one?
3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one has a molecular weight of 288.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one is sourced from PubChem (CID 103023689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).