6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide

C13H13F2N3O — CID 68606256

IUPAC6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide
SMILESNC(=O)c1[nH]nc2c1CCC1=C2C=CCCC1(F)F
InChIInChI=1S/C13H13F2N3O/c14-13(15)6-2-1-3-7-9(13)5-4-8-10(7)17-18-11(8)12(16)19/h1,3H,2,4-6H2,(H2,16,19)(H,17,18)
InChIKeyWPTAIXQGGFHWHH-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.19
Rot. Bonds1

About 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide

6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide (PubChem CID 68606256) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide
PubChem CID68606256
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide
SMILESNC(=O)c1[nH]nc2c1CCC1=C2C=CCCC1(F)F
InChIInChI=1S/C13H13F2N3O/c14-13(15)6-2-1-3-7-9(13)5-4-8-10(7)17-18-11(8)12(16)19/h1,3H,2,4-6H2,(H2,16,19)(H,17,18)
InChIKeyWPTAIXQGGFHWHH-UHFFFAOYSA-N
XLogP2.19
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-phenyl-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
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phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
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1-[4-benzyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone
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1-[5-(difluoromethyl)-1H-pyrazol-3-yl]-2-phenylethanone
CID 176437669
3-Phenyl-1H-pyrazole-5-carboxamide
CID 22238912
3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47170035
3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 70096990
5-[(2-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
CID 90351398
7-(trifluoromethyl)-2H-indazole-3-carboxamide
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CID 129018232

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide?
The IUPAC name of 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide (CID 68606256) is 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide.
What is the SMILES notation for 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide?
The canonical SMILES for 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide is NC(=O)c1[nH]nc2c1CCC1=C2C=CCCC1(F)F.
What is the InChIKey of 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide?
The InChIKey is WPTAIXQGGFHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-13(15)6-2-1-3-7-9(13)5-4-8-10(7)17-18-11(8)12(16)19/h1,3H,2,4-6H2,(H2,16,19)(H,17,18).
What are the key properties of 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide?
6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide has a molecular weight of 265.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-4,5,7,8-tetrahydro-2H-cyclohepta[g]indazole-3-carboxamide is sourced from PubChem (CID 68606256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).