6-pyrazol-1-ylcyclohepta[b]indole

C16H11N3 — CID 102047316

IUPAC6-pyrazol-1-ylcyclohepta[b]indole
SMILESc1ccc2c3ccccc3nc-2c(-n2cccn2)c1
InChIInChI=1S/C16H11N3/c1-3-8-14-12(6-1)13-7-2-4-9-15(16(13)18-14)19-11-5-10-17-19/h1-11H
InChIKeyDGSDIARIVHHUGA-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.53
Rot. Bonds1

About 6-pyrazol-1-ylcyclohepta[b]indole

6-pyrazol-1-ylcyclohepta[b]indole (PubChem CID 102047316) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-pyrazol-1-ylcyclohepta[b]indole.

Molecular Properties

Compound Name6-pyrazol-1-ylcyclohepta[b]indole
PubChem CID102047316
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name6-pyrazol-1-ylcyclohepta[b]indole
SMILESc1ccc2c3ccccc3nc-2c(-n2cccn2)c1
InChIInChI=1S/C16H11N3/c1-3-8-14-12(6-1)13-7-2-4-9-15(16(13)18-14)19-11-5-10-17-19/h1-11H
InChIKeyDGSDIARIVHHUGA-UHFFFAOYSA-N
XLogP3.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-ylcyclohepta[b]indole?
The IUPAC name of 6-pyrazol-1-ylcyclohepta[b]indole (CID 102047316) is 6-pyrazol-1-ylcyclohepta[b]indole.
What is the SMILES notation for 6-pyrazol-1-ylcyclohepta[b]indole?
The canonical SMILES for 6-pyrazol-1-ylcyclohepta[b]indole is c1ccc2c3ccccc3nc-2c(-n2cccn2)c1.
What is the InChIKey of 6-pyrazol-1-ylcyclohepta[b]indole?
The InChIKey is DGSDIARIVHHUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-3-8-14-12(6-1)13-7-2-4-9-15(16(13)18-14)19-11-5-10-17-19/h1-11H.
What are the key properties of 6-pyrazol-1-ylcyclohepta[b]indole?
6-pyrazol-1-ylcyclohepta[b]indole has a molecular weight of 245.29 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-ylcyclohepta[b]indole is sourced from PubChem (CID 102047316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).