9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole

C20H17N3S — CID 70688828

IUPAC9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole
SMILESCn1c2ccccc2c2cc(C3CC(c4cccs4)=NN3)ccc21
InChIInChI=1S/C20H17N3S/c1-23-18-6-3-2-5-14(18)15-11-13(8-9-19(15)23)16-12-17(22-21-16)20-7-4-10-24-20/h2-11,16,21H,12H2,1H3
InChIKeyGEJOMQUOQGSKIB-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.83
Rot. Bonds2

About 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole

9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole (PubChem CID 70688828) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole.

Molecular Properties

Compound Name9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole
PubChem CID70688828
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole
SMILESCn1c2ccccc2c2cc(C3CC(c4cccs4)=NN3)ccc21
InChIInChI=1S/C20H17N3S/c1-23-18-6-3-2-5-14(18)15-11-13(8-9-19(15)23)16-12-17(22-21-16)20-7-4-10-24-20/h2-11,16,21H,12H2,1H3
InChIKeyGEJOMQUOQGSKIB-UHFFFAOYSA-N
XLogP4.83
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole?
The IUPAC name of 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole (CID 70688828) is 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole.
What is the SMILES notation for 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole?
The canonical SMILES for 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole is Cn1c2ccccc2c2cc(C3CC(c4cccs4)=NN3)ccc21.
What is the InChIKey of 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole?
The InChIKey is GEJOMQUOQGSKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-23-18-6-3-2-5-14(18)15-11-13(8-9-19(15)23)16-12-17(22-21-16)20-7-4-10-24-20/h2-11,16,21H,12H2,1H3.
What are the key properties of 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole?
9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole has a molecular weight of 331.44 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl)carbazole is sourced from PubChem (CID 70688828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).