ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C31H42N4 — CID 158993847

IUPACethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC.CC.Cc1c(-c2ccccc2)nn2c1CCC2.Cc1c(-c2ccccc2)nn2c1CCCC2
InChIInChI=1S/C14H16N2.C13H14N2.2C2H6/c1-11-13-9-5-6-10-16(13)15-14(11)12-7-3-2-4-8-12;1-10-12-8-5-9-15(12)14-13(10)11-6-3-2-4-7-11;2*1-2/h2-4,7-8H,5-6,9-10H2,1H3;2-4,6-7H,5,8-9H2,1H3;2*1-2H3
InChIKeyJQMMRQBNLOIIEE-UHFFFAOYSA-N
MW470.71 g/mol
LogP8.05
Rot. Bonds2

About ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 158993847) has the molecular formula C31H42N4 and a molecular weight of 470.71 g/mol. Its IUPAC name is ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID158993847
Molecular FormulaC31H42N4
Molecular Weight470.71 g/mol
Exact Mass470.34
IUPAC Nameethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC.CC.Cc1c(-c2ccccc2)nn2c1CCC2.Cc1c(-c2ccccc2)nn2c1CCCC2
InChIInChI=1S/C14H16N2.C13H14N2.2C2H6/c1-11-13-9-5-6-10-16(13)15-14(11)12-7-3-2-4-8-12;1-10-12-8-5-9-15(12)14-13(10)11-6-3-2-4-7-11;2*1-2/h2-4,7-8H,5-6,9-10H2,1H3;2-4,6-7H,5,8-9H2,1H3;2*1-2H3
InChIKeyJQMMRQBNLOIIEE-UHFFFAOYSA-N
XLogP8.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.71
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 177050326
2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 83821484
4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-N-propan-2-ylpyrimidin-2-amine
CID 68515357
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine
CID 177339311
6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole
CID 12000104
(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanol
CID 155019625
benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 134370026
3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 67438227
3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 90898270
ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 91242747
1-ethyl-3-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 121214529
2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 10085133

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 158993847) is ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC.CC.Cc1c(-c2ccccc2)nn2c1CCC2.Cc1c(-c2ccccc2)nn2c1CCCC2.
What is the InChIKey of ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is JQMMRQBNLOIIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C13H14N2.2C2H6/c1-11-13-9-5-6-10-16(13)15-14(11)12-7-3-2-4-8-12;1-10-12-8-5-9-15(12)14-13(10)11-6-3-2-4-7-11;2*1-2/h2-4,7-8H,5-6,9-10H2,1H3;2-4,6-7H,5,8-9H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 470.71 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158993847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).