ethyl cyclohepta[f]indazole-3-carboxylate

C15H12N2O2 — CID 150801024

IUPACethyl cyclohepta[f]indazole-3-carboxylate
SMILESCCOC(=O)c1nnc2cc3cccccc3cc12
InChIInChI=1S/C15H12N2O2/c1-2-19-15(18)14-12-8-10-6-4-3-5-7-11(10)9-13(12)16-17-14/h3-9H,2H2,1H3
InChIKeyKFWCUOSPUSUTMX-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.96
Rot. Bonds2

About ethyl cyclohepta[f]indazole-3-carboxylate

ethyl cyclohepta[f]indazole-3-carboxylate (PubChem CID 150801024) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl cyclohepta[f]indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl cyclohepta[f]indazole-3-carboxylate
PubChem CID150801024
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Nameethyl cyclohepta[f]indazole-3-carboxylate
SMILESCCOC(=O)c1nnc2cc3cccccc3cc12
InChIInChI=1S/C15H12N2O2/c1-2-19-15(18)14-12-8-10-6-4-3-5-7-11(10)9-13(12)16-17-14/h3-9H,2H2,1H3
InChIKeyKFWCUOSPUSUTMX-UHFFFAOYSA-N
XLogP2.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylcyclohepta[f]indazole-3-carboxamide
CID 141318385
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
ethyl 4-[(2-methylpropan-2-yl)oxy]cinnoline-3-carboxylate
CID 64624967
ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate
CID 67083777
anthracene;ethyl carbamate
CID 174381530
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 3-(4-methoxyphenyl)isoquinoline-1-carboxylate
CID 138972364
ethyl 2,6-dichloro-5-phenoxypyrimidine-4-carboxylate
CID 19934748
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 4-(1,3-dihydroxypropan-2-ylamino)cinnoline-3-carboxylate
CID 65313889
ethyl 4-(2,2,2-trifluoroethylamino)cinnoline-3-carboxylate
CID 64624179

Frequently Asked Questions

What is the IUPAC name of ethyl cyclohepta[f]indazole-3-carboxylate?
The IUPAC name of ethyl cyclohepta[f]indazole-3-carboxylate (CID 150801024) is ethyl cyclohepta[f]indazole-3-carboxylate.
What is the SMILES notation for ethyl cyclohepta[f]indazole-3-carboxylate?
The canonical SMILES for ethyl cyclohepta[f]indazole-3-carboxylate is CCOC(=O)c1nnc2cc3cccccc3cc12.
What is the InChIKey of ethyl cyclohepta[f]indazole-3-carboxylate?
The InChIKey is KFWCUOSPUSUTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-2-19-15(18)14-12-8-10-6-4-3-5-7-11(10)9-13(12)16-17-14/h3-9H,2H2,1H3.
What are the key properties of ethyl cyclohepta[f]indazole-3-carboxylate?
ethyl cyclohepta[f]indazole-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclohepta[f]indazole-3-carboxylate is sourced from PubChem (CID 150801024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).