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

C15H17F3N6O2 — CID 19412286

IUPAC4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O
InChIInChI=1S/C15H17F3N6O2/c1-23-13(14(19)26)9(7-20-23)21-12(25)4-5-24-10(8-2-3-8)6-11(22-24)15(16,17)18/h6-8H,2-5H2,1H3,(H2,19,26)(H,21,25)
InChIKeyXREKXJQSTIRVFN-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.64
Rot. Bonds6

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

4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 19412286) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
PubChem CID19412286
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O
InChIInChI=1S/C15H17F3N6O2/c1-23-13(14(19)26)9(7-20-23)21-12(25)4-5-24-10(8-2-3-8)6-11(22-24)15(16,17)18/h6-8H,2-5H2,1H3,(H2,19,26)(H,21,25)
InChIKeyXREKXJQSTIRVFN-UHFFFAOYSA-N
XLogP1.64
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide (CID 19412286) is 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O.
What is the InChIKey of 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is XREKXJQSTIRVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-23-13(14(19)26)9(7-20-23)21-12(25)4-5-24-10(8-2-3-8)6-11(22-24)15(16,17)18/h6-8H,2-5H2,1H3,(H2,19,26)(H,21,25).
What are the key properties of 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19412286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).