4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole

C16H13N3 — CID 18416030

IUPAC4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole
SMILESCn1c2ccccc2c2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C16H13N3/c1-19-13-10-6-5-9-12(13)15-16(19)14(17-18-15)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,18)
InChIKeyFDSIGMNOHIDNBJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.72
Rot. Bonds1

About 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole

4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole (PubChem CID 18416030) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole.

Molecular Properties

Compound Name4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole
PubChem CID18416030
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole
SMILESCn1c2ccccc2c2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C16H13N3/c1-19-13-10-6-5-9-12(13)15-16(19)14(17-18-15)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,18)
InChIKeyFDSIGMNOHIDNBJ-UHFFFAOYSA-N
XLogP3.72
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole?
The IUPAC name of 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole (CID 18416030) is 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole.
What is the SMILES notation for 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole?
The canonical SMILES for 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole is Cn1c2ccccc2c2[nH]nc(-c3ccccc3)c21.
What is the InChIKey of 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole?
The InChIKey is FDSIGMNOHIDNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-19-13-10-6-5-9-12(13)15-16(19)14(17-18-15)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,18).
What are the key properties of 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole?
4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole has a molecular weight of 247.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1H-pyrazolo[4,3-b]indole is sourced from PubChem (CID 18416030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).