1,6-dihydrocyclohepta[d]pyrazole;ethane

C10H14N2 — CID 142078818

IUPAC1,6-dihydrocyclohepta[d]pyrazole;ethane
SMILESC1=Cc2cn[nH]c2C=CC1.CC
InChIInChI=1S/C8H8N2.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h2-6H,1H2,(H,9,10);1-2H3
InChIKeyQRZLUJTWSNYMOF-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.87
Rot. Bonds

About 1,6-dihydrocyclohepta[d]pyrazole;ethane

1,6-dihydrocyclohepta[d]pyrazole;ethane (PubChem CID 142078818) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,6-dihydrocyclohepta[d]pyrazole;ethane.

Molecular Properties

Compound Name1,6-dihydrocyclohepta[d]pyrazole;ethane
PubChem CID142078818
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,6-dihydrocyclohepta[d]pyrazole;ethane
SMILESC1=Cc2cn[nH]c2C=CC1.CC
InChIInChI=1S/C8H8N2.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h2-6H,1H2,(H,9,10);1-2H3
InChIKeyQRZLUJTWSNYMOF-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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cis-Butadienylpyrazole
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Butadienylpyrazole
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5-[(3E)-2-fluorohepta-1,3,5-trien-4-yl]-4-methyl-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydrocyclohepta[d]pyrazole;ethane?
The IUPAC name of 1,6-dihydrocyclohepta[d]pyrazole;ethane (CID 142078818) is 1,6-dihydrocyclohepta[d]pyrazole;ethane.
What is the SMILES notation for 1,6-dihydrocyclohepta[d]pyrazole;ethane?
The canonical SMILES for 1,6-dihydrocyclohepta[d]pyrazole;ethane is C1=Cc2cn[nH]c2C=CC1.CC.
What is the InChIKey of 1,6-dihydrocyclohepta[d]pyrazole;ethane?
The InChIKey is QRZLUJTWSNYMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-2-4-7-6-9-10-8(7)5-3-1;1-2/h2-6H,1H2,(H,9,10);1-2H3.
What are the key properties of 1,6-dihydrocyclohepta[d]pyrazole;ethane?
1,6-dihydrocyclohepta[d]pyrazole;ethane has a molecular weight of 162.24 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydrocyclohepta[d]pyrazole;ethane is sourced from PubChem (CID 142078818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).