3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one

C13H23N5O — CID 120982786

IUPAC3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCNCC1)CCn1cccn1
InChIInChI=1S/C13H23N5O/c1-16(11-12-18-7-2-4-15-18)8-3-13(19)17-9-5-14-6-10-17/h2,4,7,14H,3,5-6,8-12H2,1H3
InChIKeyNKNYVOVONBCFHH-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.36
Rot. Bonds6

About 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one

3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982786) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID120982786
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCNCC1)CCn1cccn1
InChIInChI=1S/C13H23N5O/c1-16(11-12-18-7-2-4-15-18)8-3-13(19)17-9-5-14-6-10-17/h2,4,7,14H,3,5-6,8-12H2,1H3
InChIKeyNKNYVOVONBCFHH-UHFFFAOYSA-N
XLogP-0.36
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
CID 54960870
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
N-(2-oxo-2-piperazin-1-ylethyl)-3-pyrazol-1-ylpropanamide
CID 61176642
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one (CID 120982786) is 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one is CN(CCC(=O)N1CCNCC1)CCn1cccn1.
What is the InChIKey of 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is NKNYVOVONBCFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-16(11-12-18-7-2-4-15-18)8-3-13(19)17-9-5-14-6-10-17/h2,4,7,14H,3,5-6,8-12H2,1H3.
What are the key properties of 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one?
3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 265.36 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).