[1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate

C13H10F2N4O2 — CID 17437202

IUPAC[1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1nccn1C(F)F)c1n[nH]c2ccccc12
InChIInChI=1S/C13H10F2N4O2/c14-13(15)19-6-5-16-10(19)7-21-12(20)11-8-3-1-2-4-9(8)17-18-11/h1-6,13H,7H2,(H,17,18)
InChIKeyBKCPTGQYSUHDJU-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.51
Rot. Bonds4

About [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate

[1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate (PubChem CID 17437202) has the molecular formula C13H10F2N4O2 and a molecular weight of 292.25 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate
PubChem CID17437202
Molecular FormulaC13H10F2N4O2
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name[1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate
SMILESO=C(OCc1nccn1C(F)F)c1n[nH]c2ccccc12
InChIInChI=1S/C13H10F2N4O2/c14-13(15)19-6-5-16-10(19)7-21-12(20)11-8-3-1-2-4-9(8)17-18-11/h1-6,13H,7H2,(H,17,18)
InChIKeyBKCPTGQYSUHDJU-UHFFFAOYSA-N
XLogP2.51
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate?
The IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate (CID 17437202) is [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate?
The canonical SMILES for [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate is O=C(OCc1nccn1C(F)F)c1n[nH]c2ccccc12.
What is the InChIKey of [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate?
The InChIKey is BKCPTGQYSUHDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O2/c14-13(15)19-6-5-16-10(19)7-21-12(20)11-8-3-1-2-4-9(8)17-18-11/h1-6,13H,7H2,(H,17,18).
What are the key properties of [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate?
[1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate has a molecular weight of 292.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)imidazol-2-yl]methyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 17437202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).