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

C15H16F3N5O3 — CID 19584809

IUPAC4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(=O)O
InChIInChI=1S/C15H16F3N5O3/c1-22-13(14(25)26)9(7-19-22)20-12(24)4-5-23-10(8-2-3-8)6-11(21-23)15(16,17)18/h6-8H,2-5H2,1H3,(H,20,24)(H,25,26)
InChIKeySPQJISBEHAFMNZ-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.24
Rot. Bonds6

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

4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19584809) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID19584809
Molecular FormulaC15H16F3N5O3
Molecular Weight371.32 g/mol
Exact Mass371.12
IUPAC Name4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(=O)O
InChIInChI=1S/C15H16F3N5O3/c1-22-13(14(25)26)9(7-19-22)20-12(24)4-5-23-10(8-2-3-8)6-11(21-23)15(16,17)18/h6-8H,2-5H2,1H3,(H,20,24)(H,25,26)
InChIKeySPQJISBEHAFMNZ-UHFFFAOYSA-N
XLogP2.24
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.24
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-carboxylic acid?
The IUPAC name of 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid (CID 19584809) is 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid is Cn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(=O)O.
What is the InChIKey of 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is SPQJISBEHAFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c1-22-13(14(25)26)9(7-19-22)20-12(24)4-5-23-10(8-2-3-8)6-11(21-23)15(16,17)18/h6-8H,2-5H2,1H3,(H,20,24)(H,25,26).
What are the key properties of 4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid?
4-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 371.32 g/mol, XLogP of 2.24, 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-carboxylic acid is sourced from PubChem (CID 19584809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).