ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

C11H22N2 — CID 177243494

IUPACethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCC.CC.Cc1cc2n(n1)CCC2
InChIInChI=1S/C7H10N2.2C2H6/c1-6-5-7-3-2-4-9(7)8-6;2*1-2/h5H,2-4H2,1H3;2*1-2H3
InChIKeyIPIVMCNBRXRNDX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.19
Rot. Bonds

About ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 177243494) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Nameethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID177243494
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCC.CC.Cc1cc2n(n1)CCC2
InChIInChI=1S/C7H10N2.2C2H6/c1-6-5-7-3-2-4-9(7)8-6;2*1-2/h5H,2-4H2,1H3;2*1-2H3
InChIKeyIPIVMCNBRXRNDX-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;ethane
CID 172576216
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde
CID 11286491
2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 89402114
2,6-dimethyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 142447260
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 157380727
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol
CID 83675637
1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
CID 166280824
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 82652358
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine
CID 53397595
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 11845421
2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl)ethanamine
CID 83875260
2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 123344082

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 177243494) is ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is CC.CC.Cc1cc2n(n1)CCC2.
What is the InChIKey of ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is IPIVMCNBRXRNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.2C2H6/c1-6-5-7-3-2-4-9(7)8-6;2*1-2/h5H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 182.31 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 177243494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).