2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide

C19H25ClN4O — CID 120554239

IUPAC2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC1CCNCC1C
InChIInChI=1S/C19H25ClN4O/c1-12-11-21-9-8-18(12)22-19(25)10-17-13(2)23-24(14(17)3)16-6-4-15(20)5-7-16/h4-7,12,18,21H,8-11H2,1-3H3,(H,22,25)
InChIKeyWYJWSEOQXWLOTO-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.80
Rot. Bonds4

About 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120554239) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120554239
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC1CCNCC1C
InChIInChI=1S/C19H25ClN4O/c1-12-11-21-9-8-18(12)22-19(25)10-17-13(2)23-24(14(17)3)16-6-4-15(20)5-7-16/h4-7,12,18,21H,8-11H2,1-3H3,(H,22,25)
InChIKeyWYJWSEOQXWLOTO-UHFFFAOYSA-N
XLogP2.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555554
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120553626
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502495
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
CID 119390343
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 120557331
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
2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225106
N-(3-aminopropyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119407249
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884902

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide (CID 120554239) is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC1CCNCC1C.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is WYJWSEOQXWLOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-12-11-21-9-8-18(12)22-19(25)10-17-13(2)23-24(14(17)3)16-6-4-15(20)5-7-16/h4-7,12,18,21H,8-11H2,1-3H3,(H,22,25).
What are the key properties of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 360.89 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120554239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).