7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C17H15N5 — CID 142445389

IUPAC7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C17H15N5/c1-2-4-12-11(3-1)16-13-9-20-22-14(13)5-6-15(16)21-17(12)10-7-18-19-8-10/h5-9H,1-4H2,(H,18,19)(H,20,22)
InChIKeyVAGPVIGSUDIGHA-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.38
Rot. Bonds1

About 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 142445389) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID142445389
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C17H15N5/c1-2-4-12-11(3-1)16-13-9-20-22-14(13)5-6-15(16)21-17(12)10-7-18-19-8-10/h5-9H,1-4H2,(H,18,19)(H,20,22)
InChIKeyVAGPVIGSUDIGHA-UHFFFAOYSA-N
XLogP3.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-364947
CID 447966
3-pyridin-4-yl-1H-indazole
CID 12412578
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
CID 135566619
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(1H-pyrazol-4-yl)quinoline
CID 25156751
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445421
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 142509033
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

Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 142445389) is 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is VAGPVIGSUDIGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-4-12-11(3-1)16-13-9-20-22-14(13)5-6-15(16)21-17(12)10-7-18-19-8-10/h5-9H,1-4H2,(H,18,19)(H,20,22).
What are the key properties of 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 289.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 142445389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).