N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide

C12H14F3N3O — CID 167822967

IUPACN-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide
SMILESO=C(NC1Cc2[nH]ncc2C(C(F)(F)F)C1)C1CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-3-7(17-11(19)6-1-2-6)4-10-8(9)5-16-18-10/h5-7,9H,1-4H2,(H,16,18)(H,17,19)
InChIKeyIMGQLEVSPFMOFI-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.90
Rot. Bonds2

About N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide

N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide (PubChem CID 167822967) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide
PubChem CID167822967
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide
SMILESO=C(NC1Cc2[nH]ncc2C(C(F)(F)F)C1)C1CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-3-7(17-11(19)6-1-2-6)4-10-8(9)5-16-18-10/h5-7,9H,1-4H2,(H,16,18)(H,17,19)
InChIKeyIMGQLEVSPFMOFI-UHFFFAOYSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide (CID 167822967) is N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide is O=C(NC1Cc2[nH]ncc2C(C(F)(F)F)C1)C1CC1.
What is the InChIKey of N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide?
The InChIKey is IMGQLEVSPFMOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)9-3-7(17-11(19)6-1-2-6)4-10-8(9)5-16-18-10/h5-7,9H,1-4H2,(H,16,18)(H,17,19).
What are the key properties of N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide?
N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide has a molecular weight of 273.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167822967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).