1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide

C19H14ClF6N5O — CID 71685268

IUPAC1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C19H14ClF6N5O/c20-11-3-5-12(6-4-11)31-15(19(24,25)26)13(10-30-31)17(32)29-9-8-28-16-14(18(21,22)23)2-1-7-27-16/h1-7,10H,8-9H2,(H,27,28)(H,29,32)
InChIKeyDHJMBYVMIJUAQZ-UHFFFAOYSA-N
MW477.80 g/mol
LogP4.80
Rot. Bonds6

About 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide (PubChem CID 71685268) has the molecular formula C19H14ClF6N5O and a molecular weight of 477.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide
PubChem CID71685268
Molecular FormulaC19H14ClF6N5O
Molecular Weight477.80 g/mol
Exact Mass477.08
IUPAC Name1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C19H14ClF6N5O/c20-11-3-5-12(6-4-11)31-15(19(24,25)26)13(10-30-31)17(32)29-9-8-28-16-14(18(21,22)23)2-1-7-27-16/h1-7,10H,8-9H2,(H,27,28)(H,29,32)
InChIKeyDHJMBYVMIJUAQZ-UHFFFAOYSA-N
XLogP4.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.80
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31810667
1-(4-chlorophenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91583772
3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250293
N-(3-aminopropyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119406316
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18226723
1-(3-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33123277
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 44755743
1-(3-chloro-2-pyridinyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119501500
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24547905
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55675778
1-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120948679

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide (CID 71685268) is 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide is O=C(NCCNc1ncccc1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide?
The InChIKey is DHJMBYVMIJUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF6N5O/c20-11-3-5-12(6-4-11)31-15(19(24,25)26)13(10-30-31)17(32)29-9-8-28-16-14(18(21,22)23)2-1-7-27-16/h1-7,10H,8-9H2,(H,27,28)(H,29,32).
What are the key properties of 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide has a molecular weight of 477.80 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(trifluoromethyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71685268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).