7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C18H15N3S — CID 155518902

IUPAC7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1csc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1
InChIInChI=1S/C18H15N3S/c1-2-5-12-11(4-1)17-13-10-19-21-14(13)7-8-15(17)20-18(12)16-6-3-9-22-16/h3,6-10H,1-2,4-5H2,(H,19,21)
InChIKeyJOWZHWLQJUVEAC-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.72
Rot. Bonds1

About 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 155518902) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID155518902
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1csc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1
InChIInChI=1S/C18H15N3S/c1-2-5-12-11(4-1)17-13-10-19-21-14(13)7-8-15(17)20-18(12)16-6-3-9-22-16/h3,6-10H,1-2,4-5H2,(H,19,21)
InChIKeyJOWZHWLQJUVEAC-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445421
1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 150939945
5-fluoro-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 155151783
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
N-(1-(thiophen-2-ylmethyl)piperidin-3-yl)-1H-indazol-5-amine
CID 44421862
N-(1-(thiophen-3-ylmethyl)piperidin-3-yl)-1H-indazol-5-amine
CID 44421867
7-(1H-Pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445389
8-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5lambda6-thia-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaene 5,5-dioxide
CID 142445768
9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinoline
CID 147987870
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799
1-iodo-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 152665781
7-(3,5-dimethyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 153521514

Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 155518902) is 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is c1csc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1.
What is the InChIKey of 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is JOWZHWLQJUVEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-2-5-12-11(4-1)17-13-10-19-21-14(13)7-8-15(17)20-18(12)16-6-3-9-22-16/h3,6-10H,1-2,4-5H2,(H,19,21).
What are the key properties of 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 305.41 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 155518902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).