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

C15H16ClF3N6O2 — CID 4769587

IUPAC4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCC(C(=O)Nc1cnn(C)c1C(N)=O)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H16ClF3N6O2/c1-6(14(27)22-8-5-21-24(2)11(8)13(20)26)25-10(7-3-4-7)9(16)12(23-25)15(17,18)19/h5-7H,3-4H2,1-2H3,(H2,20,26)(H,22,27)
InChIKeyCHKSFCXMPKHALU-UHFFFAOYSA-N
MW404.78 g/mol
LogP2.46
Rot. Bonds5

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

4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 4769587) has the molecular formula C15H16ClF3N6O2 and a molecular weight of 404.78 g/mol. Its IUPAC name is 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
PubChem CID4769587
Molecular FormulaC15H16ClF3N6O2
Molecular Weight404.78 g/mol
Exact Mass404.10
IUPAC Name4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCC(C(=O)Nc1cnn(C)c1C(N)=O)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H16ClF3N6O2/c1-6(14(27)22-8-5-21-24(2)11(8)13(20)26)25-10(7-3-4-7)9(16)12(23-25)15(17,18)19/h5-7H,3-4H2,1-2H3,(H2,20,26)(H,22,27)
InChIKeyCHKSFCXMPKHALU-UHFFFAOYSA-N
XLogP2.46
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide (CID 4769587) is 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide is CC(C(=O)Nc1cnn(C)c1C(N)=O)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]-1-methylpyrazole-5-carboxamide?
The InChIKey is CHKSFCXMPKHALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N6O2/c1-6(14(27)22-8-5-21-24(2)11(8)13(20)26)25-10(7-3-4-7)9(16)12(23-25)15(17,18)19/h5-7H,3-4H2,1-2H3,(H2,20,26)(H,22,27).
What are the key properties of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 404.78 g/mol, XLogP of 2.46, 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]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4769587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).