N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C12H16F3N3O2 — CID 109400559

IUPACN-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC(O)CNC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C12H16F3N3O2/c1-6(19)5-16-11(20)7-2-3-9-8(4-7)10(18-17-9)12(13,14)15/h6-7,19H,2-5H2,1H3,(H,16,20)(H,17,18)
InChIKeyKTAODUPPXADNCB-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.03
Rot. Bonds3

About N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 109400559) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID109400559
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC(O)CNC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C12H16F3N3O2/c1-6(19)5-16-11(20)7-2-3-9-8(4-7)10(18-17-9)12(13,14)15/h6-7,19H,2-5H2,1H3,(H,16,20)(H,17,18)
InChIKeyKTAODUPPXADNCB-UHFFFAOYSA-N
XLogP1.03
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 109400559) is N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CC(O)CNC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is KTAODUPPXADNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-6(19)5-16-11(20)7-2-3-9-8(4-7)10(18-17-9)12(13,14)15/h6-7,19H,2-5H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 109400559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).