2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

C19H26ClFN4O — CID 119443137

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C19H25FN4O.ClH/c1-13-18(12-19(25)23(3)16-8-10-21-11-9-16)14(2)24(22-13)17-6-4-15(20)5-7-17;/h4-7,16,21H,8-12H2,1-3H3;1H
InChIKeyKOBWNBBCDKKNNI-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.80
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119443137) has the molecular formula C19H26ClFN4O and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119443137
Molecular FormulaC19H26ClFN4O
Molecular Weight380.90 g/mol
Exact Mass380.18
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C19H25FN4O.ClH/c1-13-18(12-19(25)23(3)16-8-10-21-11-9-16)14(2)24(22-13)17-6-4-15(20)5-7-17;/h4-7,16,21H,8-12H2,1-3H3;1H
InChIKeyKOBWNBBCDKKNNI-UHFFFAOYSA-N
XLogP2.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride 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-[cyclopropyl-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119202444
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553835
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555554
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylacetamide
CID 162633481
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119441142
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 124589896
2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192760
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111561121
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562254

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119443137) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is KOBWNBBCDKKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O.ClH/c1-13-18(12-19(25)23(3)16-8-10-21-11-9-16)14(2)24(22-13)17-6-4-15(20)5-7-17;/h4-7,16,21H,8-12H2,1-3H3;1H.
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119443137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).