N-methylcyclohepta[f]indazole-3-carboxamide

C14H11N3O — CID 141318385

IUPACN-methylcyclohepta[f]indazole-3-carboxamide
SMILESCNC(=O)c1nnc2cc3cccccc3cc12
InChIInChI=1S/C14H11N3O/c1-15-14(18)13-11-7-9-5-3-2-4-6-10(9)8-12(11)16-17-13/h2-8H,1H3,(H,15,18)
InChIKeyCXNNRIORJTYBNO-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.14
Rot. Bonds1

About N-methylcyclohepta[f]indazole-3-carboxamide

N-methylcyclohepta[f]indazole-3-carboxamide (PubChem CID 141318385) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is N-methylcyclohepta[f]indazole-3-carboxamide.

Molecular Properties

Compound NameN-methylcyclohepta[f]indazole-3-carboxamide
PubChem CID141318385
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC NameN-methylcyclohepta[f]indazole-3-carboxamide
SMILESCNC(=O)c1nnc2cc3cccccc3cc12
InChIInChI=1S/C14H11N3O/c1-15-14(18)13-11-7-9-5-3-2-4-6-10(9)8-12(11)16-17-13/h2-8H,1H3,(H,15,18)
InChIKeyCXNNRIORJTYBNO-UHFFFAOYSA-N
XLogP2.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclohepta[f]indazole-3-carboxamide?
The IUPAC name of N-methylcyclohepta[f]indazole-3-carboxamide (CID 141318385) is N-methylcyclohepta[f]indazole-3-carboxamide.
What is the SMILES notation for N-methylcyclohepta[f]indazole-3-carboxamide?
The canonical SMILES for N-methylcyclohepta[f]indazole-3-carboxamide is CNC(=O)c1nnc2cc3cccccc3cc12.
What is the InChIKey of N-methylcyclohepta[f]indazole-3-carboxamide?
The InChIKey is CXNNRIORJTYBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-15-14(18)13-11-7-9-5-3-2-4-6-10(9)8-12(11)16-17-13/h2-8H,1H3,(H,15,18).
What are the key properties of N-methylcyclohepta[f]indazole-3-carboxamide?
N-methylcyclohepta[f]indazole-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohepta[f]indazole-3-carboxamide is sourced from PubChem (CID 141318385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).