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

C19H24ClF3N4O — CID 32535150

IUPAC1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)C(C)C
InChIInChI=1S/C19H24ClF3N4O/c1-12(2)26(13(3)4)9-8-24-18(28)16-11-25-27(17(16)19(21,22)23)15-7-5-6-14(20)10-15/h5-7,10-13H,8-9H2,1-4H3,(H,24,28)
InChIKeyZWBKZEPAFMXARO-UHFFFAOYSA-N
MW416.88 g/mol
LogP4.39
Rot. Bonds7

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

1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 32535150) has the molecular formula C19H24ClF3N4O and a molecular weight of 416.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID32535150
Molecular FormulaC19H24ClF3N4O
Molecular Weight416.88 g/mol
Exact Mass416.16
IUPAC Name1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)C(C)C
InChIInChI=1S/C19H24ClF3N4O/c1-12(2)26(13(3)4)9-8-24-18(28)16-11-25-27(17(16)19(21,22)23)15-7-5-6-14(20)10-15/h5-7,10-13H,8-9H2,1-4H3,(H,24,28)
InChIKeyZWBKZEPAFMXARO-UHFFFAOYSA-N
XLogP4.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33123277
1-(3-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46642923
1-(3-chlorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 52817908
methyl 4-[2-[[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 33248556
1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42817677
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N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 78854945
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
1-(3-chlorophenyl)-5-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 32535150) is 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)N(CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)C(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZWBKZEPAFMXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF3N4O/c1-12(2)26(13(3)4)9-8-24-18(28)16-11-25-27(17(16)19(21,22)23)15-7-5-6-14(20)10-15/h5-7,10-13H,8-9H2,1-4H3,(H,24,28).
What are the key properties of 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 416.88 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 32535150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).