(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

C17H22N4O — CID 39854922

IUPAC(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1
InChIInChI=1S/C17H22N4O/c1-3-20-8-10-21(11-9-20)17(22)16-12-15(18-19-16)14-6-4-13(2)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyJJTJPCHWMTWQCX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.16
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 39854922) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID39854922
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1
InChIInChI=1S/C17H22N4O/c1-3-20-8-10-21(11-9-20)17(22)16-12-15(18-19-16)14-6-4-13(2)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyJJTJPCHWMTWQCX-UHFFFAOYSA-N
XLogP2.16
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 39457294
[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 131928830
1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 71946719
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 20864943
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19515077
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119635571
azepan-1-yl-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20918147
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340316

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (CID 39854922) is (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is CCN1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is JJTJPCHWMTWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-20-8-10-21(11-9-20)17(22)16-12-15(18-19-16)14-6-4-13(2)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 39854922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).