5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C18H24ClFN4O — CID 119461346

IUPAC5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCC2CCCNC2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-2-17-16(18(24)21-11-13-4-3-9-20-10-13)12-22-23(17)15-7-5-14(19)6-8-15;/h5-8,12-13,20H,2-4,9-11H2,1H3,(H,21,24);1H
InChIKeySZGIZZUZQFZRFF-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.72
Rot. Bonds5

About 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride

5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119461346) has the molecular formula C18H24ClFN4O and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119461346
Molecular FormulaC18H24ClFN4O
Molecular Weight366.87 g/mol
Exact Mass366.16
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCC2CCCNC2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-2-17-16(18(24)21-11-13-4-3-9-20-10-13)12-22-23(17)15-7-5-14(19)6-8-15;/h5-8,12-13,20H,2-4,9-11H2,1H3,(H,21,24);1H
InChIKeySZGIZZUZQFZRFF-UHFFFAOYSA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119461896
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119460053
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55952465
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 119461346) is 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)NCC2CCCNC2)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is SZGIZZUZQFZRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O.ClH/c1-2-17-16(18(24)21-11-13-4-3-9-20-10-13)12-22-23(17)15-7-5-14(19)6-8-15;/h5-8,12-13,20H,2-4,9-11H2,1H3,(H,21,24);1H.
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119461346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).