1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H22ClF3N4O — CID 55675778

IUPAC1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C18H22ClF3N4O/c1-4-25(5-2)12(3)10-23-17(27)15-11-24-26(16(15)18(20,21)22)14-8-6-13(19)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,27)
InChIKeyRPBMGXLBKYJATN-UHFFFAOYSA-N
MW402.85 g/mol
LogP4.00
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55675778) has the molecular formula C18H22ClF3N4O and a molecular weight of 402.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55675778
Molecular FormulaC18H22ClF3N4O
Molecular Weight402.85 g/mol
Exact Mass402.14
IUPAC Name1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C18H22ClF3N4O/c1-4-25(5-2)12(3)10-23-17(27)15-11-24-26(16(15)18(20,21)22)14-8-6-13(19)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,27)
InChIKeyRPBMGXLBKYJATN-UHFFFAOYSA-N
XLogP4.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55676094
1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55878361
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
2-methyl-3-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119236703
3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250293
1-(4-chlorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46475869
1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-(2-methylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 163255931
1-(4-chlorophenyl)-N-[[4-(ethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46597950
1-(4-chlorophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91357633
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31810667
1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46669190
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46666819

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55675778) is 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RPBMGXLBKYJATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N4O/c1-4-25(5-2)12(3)10-23-17(27)15-11-24-26(16(15)18(20,21)22)14-8-6-13(19)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,27).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 402.85 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55675778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).