1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C17H18N8O2 — CID 78905566

IUPAC1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C17H18N8O2/c26-16(11-25-12-18-21-22-25)23-6-8-24(9-7-23)17(27)15-10-14(19-20-15)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,19,20)
InChIKeyWGHPEHUEIJOGNQ-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.05
Rot. Bonds4

About 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 78905566) has the molecular formula C17H18N8O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID78905566
Molecular FormulaC17H18N8O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C17H18N8O2/c26-16(11-25-12-18-21-22-25)23-6-8-24(9-7-23)17(27)15-10-14(19-20-15)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,19,20)
InChIKeyWGHPEHUEIJOGNQ-UHFFFAOYSA-N
XLogP0.05
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
1-[4-(2-iodo-3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905393
(2-bromophenyl)-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 20910987
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904992
1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 71946719
1-[4-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905371
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 132968742
3-(2-chlorophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905113
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71702362
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 131960673

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 78905566) is 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is WGHPEHUEIJOGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c26-16(11-25-12-18-21-22-25)23-6-8-24(9-7-23)17(27)15-10-14(19-20-15)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,19,20).
What are the key properties of 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 366.38 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 78905566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).