1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H22ClF3N4O2 — CID 55899479

IUPAC1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C19H22ClF3N4O2/c1-3-8-24-16(28)12-26(9-4-2)18(29)15-11-25-27(17(15)19(21,22)23)14-7-5-6-13(20)10-14/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,24,28)
InChIKeyIFTOALBHGOEDDF-UHFFFAOYSA-N
MW430.86 g/mol
LogP3.92
Rot. Bonds8

About 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55899479) has the molecular formula C19H22ClF3N4O2 and a molecular weight of 430.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55899479
Molecular FormulaC19H22ClF3N4O2
Molecular Weight430.86 g/mol
Exact Mass430.14
IUPAC Name1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C19H22ClF3N4O2/c1-3-8-24-16(28)12-26(9-4-2)18(29)15-11-25-27(17(15)19(21,22)23)14-7-5-6-13(20)10-14/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,24,28)
InChIKeyIFTOALBHGOEDDF-UHFFFAOYSA-N
XLogP3.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.86
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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1-(3-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46642923
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1-(3-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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CID 33103491
1-(3-chlorophenyl)-N-[(3R)-1-ethylpiperidin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55899479) is 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCCNC(=O)CN(CCC)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IFTOALBHGOEDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N4O2/c1-3-8-24-16(28)12-26(9-4-2)18(29)15-11-25-27(17(15)19(21,22)23)14-7-5-6-13(20)10-14/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,24,28).
What are the key properties of 1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 430.86 g/mol, XLogP of 3.92, 8 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-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55899479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).