2-(benzylamino)-1-pyrazol-1-ylethanone

C12H13N3O — CID 141299759

IUPAC2-(benzylamino)-1-pyrazol-1-ylethanone
SMILESO=C(CNCc1ccccc1)n1cccn1
InChIInChI=1S/C12H13N3O/c16-12(15-8-4-7-14-15)10-13-9-11-5-2-1-3-6-11/h1-8,13H,9-10H2
InChIKeyKVJIIEGYKUWNQQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.31
Rot. Bonds4

About 2-(benzylamino)-1-pyrazol-1-ylethanone

2-(benzylamino)-1-pyrazol-1-ylethanone (PubChem CID 141299759) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(benzylamino)-1-pyrazol-1-ylethanone.

Molecular Properties

Compound Name2-(benzylamino)-1-pyrazol-1-ylethanone
PubChem CID141299759
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(benzylamino)-1-pyrazol-1-ylethanone
SMILESO=C(CNCc1ccccc1)n1cccn1
InChIInChI=1S/C12H13N3O/c16-12(15-8-4-7-14-15)10-13-9-11-5-2-1-3-6-11/h1-8,13H,9-10H2
InChIKeyKVJIIEGYKUWNQQ-UHFFFAOYSA-N
XLogP1.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzylamino)-1-pyrazol-1-ylethanone 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-(benzylamino)acetohydrazide
CID 15118563
2-phenoxy-1-pyrazol-1-ylethanone
CID 3347292
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
1-(benzylamino)-3-chloropropan-2-one
CID 91104942
2-[2-(benzylamino)acetyl]-3-phenyl-1,2-oxazol-5-one
CID 145487557
4-amino-1-(benzylamino)butan-2-one
CID 83967308
5-(benzylamino)-4-oxopentanoic acid
CID 141297072
1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one
CID 110468375
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-pyrazol-1-ylethanone?
The IUPAC name of 2-(benzylamino)-1-pyrazol-1-ylethanone (CID 141299759) is 2-(benzylamino)-1-pyrazol-1-ylethanone.
What is the SMILES notation for 2-(benzylamino)-1-pyrazol-1-ylethanone?
The canonical SMILES for 2-(benzylamino)-1-pyrazol-1-ylethanone is O=C(CNCc1ccccc1)n1cccn1.
What is the InChIKey of 2-(benzylamino)-1-pyrazol-1-ylethanone?
The InChIKey is KVJIIEGYKUWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12(15-8-4-7-14-15)10-13-9-11-5-2-1-3-6-11/h1-8,13H,9-10H2.
What are the key properties of 2-(benzylamino)-1-pyrazol-1-ylethanone?
2-(benzylamino)-1-pyrazol-1-ylethanone has a molecular weight of 215.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-pyrazol-1-ylethanone is sourced from PubChem (CID 141299759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).