4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide

C16H18ClF3N6O2 — CID 19531738

IUPAC4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H18ClF3N6O2/c1-7(14(27)22-9-6-25(3)23-11(9)15(28)21-2)26-12(8-4-5-8)10(17)13(24-26)16(18,19)20/h6-8H,4-5H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyFKIQIFRIEVEGSY-UHFFFAOYSA-N
MW418.81 g/mol
LogP2.73
Rot. Bonds5

About 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide

4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19531738) has the molecular formula C16H18ClF3N6O2 and a molecular weight of 418.81 g/mol. Its IUPAC name is 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19531738
Molecular FormulaC16H18ClF3N6O2
Molecular Weight418.81 g/mol
Exact Mass418.11
IUPAC Name4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H18ClF3N6O2/c1-7(14(27)22-9-6-25(3)23-11(9)15(28)21-2)26-12(8-4-5-8)10(17)13(24-26)16(18,19)20/h6-8H,4-5H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyFKIQIFRIEVEGSY-UHFFFAOYSA-N
XLogP2.73
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19531714
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19535220
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide
CID 4770620
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 19535224
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535247
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)propanamide
CID 19531741
4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19527236
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19535270
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19531769
(2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide
CID 51390553
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19531671
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)propanamide
CID 19531579

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide (CID 19531738) is 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is FKIQIFRIEVEGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N6O2/c1-7(14(27)22-9-6-25(3)23-11(9)15(28)21-2)26-12(8-4-5-8)10(17)13(24-26)16(18,19)20/h6-8H,4-5H2,1-3H3,(H,21,28)(H,22,27).
What are the key properties of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 418.81 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19531738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).