[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone

C17H18N6O — CID 95282730

IUPAC[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C17H18N6O/c24-17(14-4-6-15(7-5-14)22-12-18-19-13-22)21-9-1-3-16(11-21)23-10-2-8-20-23/h2,4-8,10,12-13,16H,1,3,9,11H2/t16-/m0/s1
InChIKeyBUVRNPACXPVMHR-INIZCTEOSA-N
MW322.37 g/mol
LogP1.94
Rot. Bonds3

About [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone

[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 95282730) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID95282730
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C17H18N6O/c24-17(14-4-6-15(7-5-14)22-12-18-19-13-22)21-9-1-3-16(11-21)23-10-2-8-20-23/h2,4-8,10,12-13,16H,1,3,9,11H2/t16-/m0/s1
InChIKeyBUVRNPACXPVMHR-INIZCTEOSA-N
XLogP1.94
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone with MolForge

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Related Compounds

(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
1-[4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95337402
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158560
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281721
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
N-methyl-5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 95273055

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone (CID 95282730) is [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone is O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](n2cccn2)C1.
What is the InChIKey of [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is BUVRNPACXPVMHR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(14-4-6-15(7-5-14)22-12-18-19-13-22)21-9-1-3-16(11-21)23-10-2-8-20-23/h2,4-8,10,12-13,16H,1,3,9,11H2/t16-/m0/s1.
What are the key properties of [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 322.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 95282730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).