2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride

C17H24ClN5O — CID 119915111

IUPAC2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-20(14-17(23)21-11-8-18-9-12-21)13-15-3-5-16(6-4-15)22-10-2-7-19-22;/h2-7,10,18H,8-9,11-14H2,1H3;1H
InChIKeyNCKQULSZRZJIQD-UHFFFAOYSA-N
MW349.87 g/mol
LogP1.16
Rot. Bonds5

About 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride

2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915111) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915111
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-20(14-17(23)21-11-8-18-9-12-21)13-15-3-5-16(6-4-15)22-10-2-7-19-22;/h2-7,10,18H,8-9,11-14H2,1H3;1H
InChIKeyNCKQULSZRZJIQD-UHFFFAOYSA-N
XLogP1.16
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
CID 54960870
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 104869182
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 120835873
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-pyrazol-1-ylphenyl)ethanone
CID 78875687

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915111) is 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is NCKQULSZRZJIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-20(14-17(23)21-11-8-18-9-12-21)13-15-3-5-16(6-4-15)22-10-2-7-19-22;/h2-7,10,18H,8-9,11-14H2,1H3;1H.
What are the key properties of 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).