2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide

C19H25FN4O — CID 119462604

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC1CCCNC1
InChIInChI=1S/C19H25FN4O/c1-13-18(10-19(25)22-12-15-4-3-9-21-11-15)14(2)24(23-13)17-7-5-16(20)6-8-17/h5-8,15,21H,3-4,9-12H2,1-2H3,(H,22,25)
InChIKeyCZOGWSOFVJLOHB-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.29
Rot. Bonds5

About 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119462604) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119462604
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC1CCCNC1
InChIInChI=1S/C19H25FN4O/c1-13-18(10-19(25)22-12-15-4-3-9-21-11-15)14(2)24(23-13)17-7-5-16(20)6-8-17/h5-8,15,21H,3-4,9-12H2,1-2H3,(H,22,25)
InChIKeyCZOGWSOFVJLOHB-UHFFFAOYSA-N
XLogP2.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555554
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 47044966
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55912090
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 98365516
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide (CID 119462604) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC1CCCNC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is CZOGWSOFVJLOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-13-18(10-19(25)22-12-15-4-3-9-21-11-15)14(2)24(23-13)17-7-5-16(20)6-8-17/h5-8,15,21H,3-4,9-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 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-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119462604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).