[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

C17H20N8O2 — CID 146045778

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(-n3cnnn3)n[nH]2)CC1
InChIInChI=1S/C17H20N8O2/c1-2-27-15-6-4-3-5-14(15)23-7-9-24(10-8-23)17(26)13-11-16(20-19-13)25-12-18-21-22-25/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)
InChIKeyUOPWSZACSBFAKY-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.75
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 146045778) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
PubChem CID146045778
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(-n3cnnn3)n[nH]2)CC1
InChIInChI=1S/C17H20N8O2/c1-2-27-15-6-4-3-5-14(15)23-7-9-24(10-8-23)17(26)13-11-16(20-19-13)25-12-18-21-22-25/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)
InChIKeyUOPWSZACSBFAKY-UHFFFAOYSA-N
XLogP0.75
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone with MolForge

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 46856952
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146042822
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38414706

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (CID 146045778) is [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2cc(-n3cnnn3)n[nH]2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is UOPWSZACSBFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-2-27-15-6-4-3-5-14(15)23-7-9-24(10-8-23)17(26)13-11-16(20-19-13)25-12-18-21-22-25/h3-6,11-12H,2,7-10H2,1H3,(H,19,20).
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 368.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 146045778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).