ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole

C10H16N2 — CID 143036173

IUPACethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole
SMILESC1=CC2=C(C=CC1)NNC2.CC
InChIInChI=1S/C8H10N2.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h2-5,9-10H,1,6H2;1-2H3
InChIKeyQPBUSOLMBOTEJC-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.89
Rot. Bonds

About ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole

ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole (PubChem CID 143036173) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole.

Molecular Properties

Compound Nameethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole
PubChem CID143036173
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Nameethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole
SMILESC1=CC2=C(C=CC1)NNC2.CC
InChIInChI=1S/C8H10N2.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h2-5,9-10H,1,6H2;1-2H3
InChIKeyQPBUSOLMBOTEJC-UHFFFAOYSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cycloheptapyrazoline
CID 129766779
5,7-dimethyl-2,3-dihydro-1H-diazepine
CID 19798212
[(Z,2E)-2-prop-2-enylidenehex-3-enyl]hydrazine
CID 87415364
5-[(1Z)-2-methylbuta-1,3-dienyl]-4-propan-2-yl-2,3-dihydro-1H-pyrazole
CID 88900437
[(2E,4Z)-2,6-dimethylocta-2,4,6,7-tetraenyl]hydrazine
CID 89118333
1-Cyclopenta-1,4-dien-1-yl-2-pentan-3-ylhydrazine
CID 90828841
3,5-di(cyclohexa-1,5-dien-1-yl)-2,3-dihydro-1H-pyrazole
CID 117991358
3-methyl-2,7a-dihydro-1H-indazole
CID 118281576
1-[(Z)-2-methylidenehex-3-enyl]-2-prop-2-enylhydrazine
CID 121419922
1-[(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-2-methylhydrazine
CID 123192867
2,3-dihydro-1H-cycloocta[c]pyrazole
CID 123530915
(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)methylhydrazine
CID 123813713

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole?
The IUPAC name of ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole (CID 143036173) is ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole.
What is the SMILES notation for ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole?
The canonical SMILES for ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole is C1=CC2=C(C=CC1)NNC2.CC.
What is the InChIKey of ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole?
The InChIKey is QPBUSOLMBOTEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h2-5,9-10H,1,6H2;1-2H3.
What are the key properties of ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole?
ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole has a molecular weight of 164.25 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,6-tetrahydrocyclohepta[c]pyrazole is sourced from PubChem (CID 143036173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).