ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C9H16N2 — CID 142324749

IUPACethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCC.Cc1cnn2c1CCC2
InChIInChI=1S/C7H10N2.C2H6/c1-6-5-8-9-4-2-3-7(6)9;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyFOSIBZADDXSFBX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.16
Rot. Bonds

About ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 142324749) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Nameethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID142324749
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nameethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCC.Cc1cnn2c1CCC2
InChIInChI=1S/C7H10N2.C2H6/c1-6-5-8-9-4-2-3-7(6)9;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyFOSIBZADDXSFBX-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 145221540
3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 14145814
CID 163427439
CID 163427439
3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 122129707
2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
CID 164547270
3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 163670178
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
CID 66764821
ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 145221524
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-thiol
CID 142909383
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 118139533
3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane
CID 145221517
3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 71531119

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 142324749) is ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is CC.Cc1cnn2c1CCC2.
What is the InChIKey of ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is FOSIBZADDXSFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-6-5-8-9-4-2-3-7(6)9;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 142324749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).