3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C15H17F3N6O — CID 166280008

IUPAC3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCc1nnc2n1C(C(=O)NC1Cc3[nH]ncc3C(C(F)(F)F)C1)CC2
InChIInChI=1S/C15H17F3N6O/c1-7-21-23-13-3-2-12(24(7)13)14(25)20-8-4-10(15(16,17)18)9-6-19-22-11(9)5-8/h6,8,10,12H,2-5H2,1H3,(H,19,22)(H,20,25)
InChIKeyDOULJKNNGVDULG-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.57
Rot. Bonds2

About 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 166280008) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID166280008
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCc1nnc2n1C(C(=O)NC1Cc3[nH]ncc3C(C(F)(F)F)C1)CC2
InChIInChI=1S/C15H17F3N6O/c1-7-21-23-13-3-2-12(24(7)13)14(25)20-8-4-10(15(16,17)18)9-6-19-22-11(9)5-8/h6,8,10,12H,2-5H2,1H3,(H,19,22)(H,20,25)
InChIKeyDOULJKNNGVDULG-UHFFFAOYSA-N
XLogP1.57
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 166280008) is 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is Cc1nnc2n1C(C(=O)NC1Cc3[nH]ncc3C(C(F)(F)F)C1)CC2.
What is the InChIKey of 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is DOULJKNNGVDULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-7-21-23-13-3-2-12(24(7)13)14(25)20-8-4-10(15(16,17)18)9-6-19-22-11(9)5-8/h6,8,10,12H,2-5H2,1H3,(H,19,22)(H,20,25).
What are the key properties of 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 166280008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).