1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide

C15H17F3N6O2 — CID 67203547

IUPAC1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)n1ccc(C(N)=O)n1
InChIInChI=1S/C15H17F3N6O2/c1-22(24-7-6-10(20-24)14(19)26)12(25)8-23-11-5-3-2-4-9(11)13(21-23)15(16,17)18/h6-7H,2-5,8H2,1H3,(H2,19,26)
InChIKeyNZOIXVUSWOPNTJ-UHFFFAOYSA-N
MW370.34 g/mol
LogP0.87
Rot. Bonds4

About 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide

1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide (PubChem CID 67203547) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
PubChem CID67203547
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)n1ccc(C(N)=O)n1
InChIInChI=1S/C15H17F3N6O2/c1-22(24-7-6-10(20-24)14(19)26)12(25)8-23-11-5-3-2-4-9(11)13(21-23)15(16,17)18/h6-7H,2-5,8H2,1H3,(H2,19,26)
InChIKeyNZOIXVUSWOPNTJ-UHFFFAOYSA-N
XLogP0.87
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide (CID 67203547) is 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide is CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide?
The InChIKey is NZOIXVUSWOPNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-22(24-7-6-10(20-24)14(19)26)12(25)8-23-11-5-3-2-4-9(11)13(21-23)15(16,17)18/h6-7H,2-5,8H2,1H3,(H2,19,26).
What are the key properties of 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide?
1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 67203547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).