2,3-dihydro-1H-cycloocta[c]pyrazole

C9H10N2 — CID 123530915

IUPAC2,3-dihydro-1H-cycloocta[c]pyrazole
SMILESC1=CC=CC2=C(C=C1)CNN2
InChIInChI=1S/C9H10N2/c1-2-4-6-9-8(5-3-1)7-10-11-9/h1-6,10-11H,7H2
InChIKeyZBHUWWRMPAKBRY-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.03
Rot. Bonds

About 2,3-dihydro-1H-cycloocta[c]pyrazole

2,3-dihydro-1H-cycloocta[c]pyrazole (PubChem CID 123530915) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,3-dihydro-1H-cycloocta[c]pyrazole.

Molecular Properties

Compound Name2,3-dihydro-1H-cycloocta[c]pyrazole
PubChem CID123530915
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2,3-dihydro-1H-cycloocta[c]pyrazole
SMILESC1=CC=CC2=C(C=C1)CNN2
InChIInChI=1S/C9H10N2/c1-2-4-6-9-8(5-3-1)7-10-11-9/h1-6,10-11H,7H2
InChIKeyZBHUWWRMPAKBRY-UHFFFAOYSA-N
XLogP1.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[(1Z)-2-methylbuta-1,3-dienyl]-4-propan-2-yl-2,3-dihydro-1H-pyrazole
CID 88900437
(1Z,3Z)-6-(2-aminohydrazinyl)-5-methylidenehepta-1,3,6-trien-1-amine
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2-[[2-(Cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene
CID 90051138
[(3Z)-5-methylhexa-3,5-dien-2-yl]hydrazine
CID 90291952
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
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(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
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(1Z,3Z)-6-hydrazinyl-5-methylidenehepta-1,3,6-trien-1-amine
CID 131993611

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-cycloocta[c]pyrazole?
The IUPAC name of 2,3-dihydro-1H-cycloocta[c]pyrazole (CID 123530915) is 2,3-dihydro-1H-cycloocta[c]pyrazole.
What is the SMILES notation for 2,3-dihydro-1H-cycloocta[c]pyrazole?
The canonical SMILES for 2,3-dihydro-1H-cycloocta[c]pyrazole is C1=CC=CC2=C(C=C1)CNN2.
What is the InChIKey of 2,3-dihydro-1H-cycloocta[c]pyrazole?
The InChIKey is ZBHUWWRMPAKBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-4-6-9-8(5-3-1)7-10-11-9/h1-6,10-11H,7H2.
What are the key properties of 2,3-dihydro-1H-cycloocta[c]pyrazole?
2,3-dihydro-1H-cycloocta[c]pyrazole has a molecular weight of 146.19 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-cycloocta[c]pyrazole is sourced from PubChem (CID 123530915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).