7-methyl-1,7-dihydrocyclohepta[c]pyrazole

C9H10N2 — CID 89329450

IUPAC7-methyl-1,7-dihydrocyclohepta[c]pyrazole
SMILESCC1C=CC=c2cn[nH]c2=C1
InChIInChI=1S/C9H10N2/c1-7-3-2-4-8-6-10-11-9(8)5-7/h2-7,11H,1H3
InChIKeyLCHDBCHDIBNFFJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.18
Rot. Bonds

About 7-methyl-1,7-dihydrocyclohepta[c]pyrazole

7-methyl-1,7-dihydrocyclohepta[c]pyrazole (PubChem CID 89329450) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 7-methyl-1,7-dihydrocyclohepta[c]pyrazole.

Molecular Properties

Compound Name7-methyl-1,7-dihydrocyclohepta[c]pyrazole
PubChem CID89329450
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name7-methyl-1,7-dihydrocyclohepta[c]pyrazole
SMILESCC1C=CC=c2cn[nH]c2=C1
InChIInChI=1S/C9H10N2/c1-7-3-2-4-8-6-10-11-9(8)5-7/h2-7,11H,1H3
InChIKeyLCHDBCHDIBNFFJ-UHFFFAOYSA-N
XLogP0.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,7-dihydrocyclohepta[c]pyrazole?
The IUPAC name of 7-methyl-1,7-dihydrocyclohepta[c]pyrazole (CID 89329450) is 7-methyl-1,7-dihydrocyclohepta[c]pyrazole.
What is the SMILES notation for 7-methyl-1,7-dihydrocyclohepta[c]pyrazole?
The canonical SMILES for 7-methyl-1,7-dihydrocyclohepta[c]pyrazole is CC1C=CC=c2cn[nH]c2=C1.
What is the InChIKey of 7-methyl-1,7-dihydrocyclohepta[c]pyrazole?
The InChIKey is LCHDBCHDIBNFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-3-2-4-8-6-10-11-9(8)5-7/h2-7,11H,1H3.
What are the key properties of 7-methyl-1,7-dihydrocyclohepta[c]pyrazole?
7-methyl-1,7-dihydrocyclohepta[c]pyrazole has a molecular weight of 146.19 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,7-dihydrocyclohepta[c]pyrazole is sourced from PubChem (CID 89329450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).