2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone

C17H22N4O — CID 154778909

IUPAC2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone
SMILESCc1ccn(-c2ccccc2NCC(=O)N2CCCCC2)n1
InChIInChI=1S/C17H22N4O/c1-14-9-12-21(19-14)16-8-4-3-7-15(16)18-13-17(22)20-10-5-2-6-11-20/h3-4,7-9,12,18H,2,5-6,10-11,13H2,1H3
InChIKeyQWZDTTYWYOECAT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone

2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone (PubChem CID 154778909) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone
PubChem CID154778909
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone
SMILESCc1ccn(-c2ccccc2NCC(=O)N2CCCCC2)n1
InChIInChI=1S/C17H22N4O/c1-14-9-12-21(19-14)16-8-4-3-7-15(16)18-13-17(22)20-10-5-2-6-11-20/h3-4,7-9,12,18H,2,5-6,10-11,13H2,1H3
InChIKeyQWZDTTYWYOECAT-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-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-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
CID 28568569
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94631571
4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120563814
1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea
CID 136514705
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone (CID 154778909) is 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone is Cc1ccn(-c2ccccc2NCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone?
The InChIKey is QWZDTTYWYOECAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-9-12-21(19-14)16-8-4-3-7-15(16)18-13-17(22)20-10-5-2-6-11-20/h3-4,7-9,12,18H,2,5-6,10-11,13H2,1H3.
What are the key properties of 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone?
2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone has a molecular weight of 298.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 154778909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).