1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one

C15H19N3O — CID 106105494

IUPAC1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(NCCc2ccn(C)n2)cc1
InChIInChI=1S/C15H19N3O/c1-3-15(19)12-4-6-13(7-5-12)16-10-8-14-9-11-18(2)17-14/h4-7,9,11,16H,3,8,10H2,1-2H3
InChIKeyYDYODMZPBCNDHE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.67
Rot. Bonds6

About 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one

1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one (PubChem CID 106105494) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one
PubChem CID106105494
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(NCCc2ccn(C)n2)cc1
InChIInChI=1S/C15H19N3O/c1-3-15(19)12-4-6-13(7-5-12)16-10-8-14-9-11-18(2)17-14/h4-7,9,11,16H,3,8,10H2,1-2H3
InChIKeyYDYODMZPBCNDHE-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-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

N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 106105462
1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one
CID 103131579
3-methyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106105331
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 104626517
2-amino-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 106103978
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
4-[2-(1-methylpyrazol-3-yl)ethylamino]-2-nitrobenzonitrile
CID 106105147
4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106103991
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627123
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 106105316

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one (CID 106105494) is 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one is CCC(=O)c1ccc(NCCc2ccn(C)n2)cc1.
What is the InChIKey of 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one?
The InChIKey is YDYODMZPBCNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-15(19)12-4-6-13(7-5-12)16-10-8-14-9-11-18(2)17-14/h4-7,9,11,16H,3,8,10H2,1-2H3.
What are the key properties of 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one?
1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one is sourced from PubChem (CID 106105494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).