3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane

C10H18N2 — CID 143872758

IUPAC3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane
SMILESCC.Cc1[nH]nc2c1CCC2C
InChIInChI=1S/C8H12N2.C2H6/c1-5-3-4-7-6(2)9-10-8(5)7;1-2/h5H,3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyBVHMTIRSKZMILX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.79
Rot. Bonds

About 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane

3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane (PubChem CID 143872758) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane.

Molecular Properties

Compound Name3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane
PubChem CID143872758
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane
SMILESCC.Cc1[nH]nc2c1CCC2C
InChIInChI=1S/C8H12N2.C2H6/c1-5-3-4-7-6(2)9-10-8(5)7;1-2/h5H,3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyBVHMTIRSKZMILX-UHFFFAOYSA-N
XLogP2.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Pentyl-4,5,6,7-tetrahydro-1H-indazole
CID 585962
3,5-Diethyl-4-methylpyrazole
CID 139517
3,5-Di-t-butyl-4-methylpyrazole
CID 140411
3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
CID 2855977
3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole
CID 23279515
1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbonitrile
CID 23135139
(3BS,4AR)-3,4,4-Trimethyl-3B,4,4A,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-C]pyrazole
CID 766473
3-ethyl-4,5-dimethyl-1H-pyrazole
CID 2753139
4-Ethyl-3,5-dipropyl-1H-pyrazole
CID 586388
1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-
CID 5245630
3-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 12204862
3-Isopropyl-4,5,6,7-tetrahydro-1H-indazole
CID 5226481

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane?
The IUPAC name of 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane (CID 143872758) is 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane.
What is the SMILES notation for 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane?
The canonical SMILES for 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane is CC.Cc1[nH]nc2c1CCC2C.
What is the InChIKey of 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane?
The InChIKey is BVHMTIRSKZMILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-5-3-4-7-6(2)9-10-8(5)7;1-2/h5H,3-4H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane?
3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane has a molecular weight of 166.27 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole;ethane is sourced from PubChem (CID 143872758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).