1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H22ClF3N4O — CID 55878361

IUPAC1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)CN1CCCC1
InChIInChI=1S/C19H22ClF3N4O/c1-13(12-26-8-2-3-9-26)10-24-18(28)16-11-25-27(17(16)19(21,22)23)15-6-4-14(20)5-7-15/h4-7,11,13H,2-3,8-10,12H2,1H3,(H,24,28)
InChIKeyUOHYQWZGZQZOJZ-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.01
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55878361) has the molecular formula C19H22ClF3N4O and a molecular weight of 414.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55878361
Molecular FormulaC19H22ClF3N4O
Molecular Weight414.86 g/mol
Exact Mass414.14
IUPAC Name1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)CN1CCCC1
InChIInChI=1S/C19H22ClF3N4O/c1-13(12-26-8-2-3-9-26)10-24-18(28)16-11-25-27(17(16)19(21,22)23)15-6-4-14(20)5-7-15/h4-7,11,13H,2-3,8-10,12H2,1H3,(H,24,28)
InChIKeyUOHYQWZGZQZOJZ-UHFFFAOYSA-N
XLogP4.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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2-methyl-3-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119236703
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1-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55878361) is 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)CN1CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UOHYQWZGZQZOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N4O/c1-13(12-26-8-2-3-9-26)10-24-18(28)16-11-25-27(17(16)19(21,22)23)15-6-4-14(20)5-7-15/h4-7,11,13H,2-3,8-10,12H2,1H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 414.86 g/mol, XLogP of 4.01, 6 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-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55878361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).