N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C12H17F2N3O2 — CID 126805565

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(C1CCCc2[nH]ncc21)N(CCO)CC(F)F
InChIInChI=1S/C12H17F2N3O2/c13-11(14)7-17(4-5-18)12(19)8-2-1-3-10-9(8)6-15-16-10/h6,8,11,18H,1-5,7H2,(H,15,16)
InChIKeyJWOCQVSBXFVURD-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.92
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 126805565) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID126805565
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(C1CCCc2[nH]ncc21)N(CCO)CC(F)F
InChIInChI=1S/C12H17F2N3O2/c13-11(14)7-17(4-5-18)12(19)8-2-1-3-10-9(8)6-15-16-10/h6,8,11,18H,1-5,7H2,(H,15,16)
InChIKeyJWOCQVSBXFVURD-UHFFFAOYSA-N
XLogP0.92
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 126805565) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(C1CCCc2[nH]ncc21)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is JWOCQVSBXFVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c13-11(14)7-17(4-5-18)12(19)8-2-1-3-10-9(8)6-15-16-10/h6,8,11,18H,1-5,7H2,(H,15,16).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 126805565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).