1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride

C18H24ClFN4O — CID 120553626

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-11-10-20-9-8-16(11)21-18(24)17-12(2)22-23(13(17)3)15-6-4-14(19)5-7-15;/h4-7,11,16,20H,8-10H2,1-3H3,(H,21,24);1H
InChIKeyDASGYFPQEAILQN-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.78
Rot. Bonds3

About 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride

1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 120553626) has the molecular formula C18H24ClFN4O and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
PubChem CID120553626
Molecular FormulaC18H24ClFN4O
Molecular Weight366.87 g/mol
Exact Mass366.16
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-11-10-20-9-8-16(11)21-18(24)17-12(2)22-23(13(17)3)15-6-4-14(19)5-7-15;/h4-7,11,16,20H,8-10H2,1-3H3,(H,21,24);1H
InChIKeyDASGYFPQEAILQN-UHFFFAOYSA-N
XLogP2.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.78
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
1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120554023
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119477007
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120554239
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride (CID 120553626) is 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCNCC1C.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is DASGYFPQEAILQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O.ClH/c1-11-10-20-9-8-16(11)21-18(24)17-12(2)22-23(13(17)3)15-6-4-14(19)5-7-15;/h4-7,11,16,20H,8-10H2,1-3H3,(H,21,24);1H.
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride?
1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120553626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).