N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride

C18H24ClFN4O — CID 119477007

IUPACN-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-11-17(18(24)21-15-7-5-14(20)6-8-15)12(2)23(22-11)16-9-3-13(19)4-10-16;/h3-4,9-10,14-15H,5-8,20H2,1-2H3,(H,21,24);1H
InChIKeyXYZYFVBYPJVURL-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.05
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119477007) has the molecular formula C18H24ClFN4O and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119477007
Molecular FormulaC18H24ClFN4O
Molecular Weight366.87 g/mol
Exact Mass366.16
IUPAC NameN-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-11-17(18(24)21-15-7-5-14(20)6-8-15)12(2)23(22-11)16-9-3-13(19)4-10-16;/h3-4,9-10,14-15H,5-8,20H2,1-2H3,(H,21,24);1H
InChIKeyXYZYFVBYPJVURL-UHFFFAOYSA-N
XLogP3.05
TPSA72.94 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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
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N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
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N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119507312
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N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 26246659
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
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N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride (CID 119477007) is N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is XYZYFVBYPJVURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O.ClH/c1-11-17(18(24)21-15-7-5-14(20)6-8-15)12(2)23(22-11)16-9-3-13(19)4-10-16;/h3-4,9-10,14-15H,5-8,20H2,1-2H3,(H,21,24);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119477007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).