7-methyl-1H-cyclohepta[c]pyrazol-7-amine

C9H11N3 — CID 123946475

IUPAC7-methyl-1H-cyclohepta[c]pyrazol-7-amine
SMILESCC1(N)C=CC=c2cn[nH]c2=C1
InChIInChI=1S/C9H11N3/c1-9(10)4-2-3-7-6-11-12-8(7)5-9/h2-6,12H,10H2,1H3
InChIKeyYDRJRDSIKMKLFT-UHFFFAOYSA-N
MW161.21 g/mol
LogP-0.74
Rot. Bonds

About 7-methyl-1H-cyclohepta[c]pyrazol-7-amine

7-methyl-1H-cyclohepta[c]pyrazol-7-amine (PubChem CID 123946475) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 7-methyl-1H-cyclohepta[c]pyrazol-7-amine.

Molecular Properties

Compound Name7-methyl-1H-cyclohepta[c]pyrazol-7-amine
PubChem CID123946475
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name7-methyl-1H-cyclohepta[c]pyrazol-7-amine
SMILESCC1(N)C=CC=c2cn[nH]c2=C1
InChIInChI=1S/C9H11N3/c1-9(10)4-2-3-7-6-11-12-8(7)5-9/h2-6,12H,10H2,1H3
InChIKeyYDRJRDSIKMKLFT-UHFFFAOYSA-N
XLogP-0.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1H-cyclohepta[c]pyrazole-7-thiol
CID 144790115
7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole
CID 144603221
5-methyl-2-propan-2-yl-1H-cyclohepta[b]pyrrol-5-amine
CID 155307558
5-methylcyclohepta[b]thiophen-5-amine
CID 143260204
(6R)-6-methyl-6-nitro-1,5-dihydroindazole
CID 173381827
6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole
CID 155468939
1-methyl-3-methylsulfanylcyclohepta-2,4,6-trien-1-amine
CID 142348741
7-methyl-1H-cyclohepta[b]pyrrole-7-thiol
CID 144790122
2,2-dimethylpyridazino[4,5-b]azepine
CID 143260108
1,3-dimethyl-4-(2,2,3-trimethylhexyl)cyclohepta-2,4,6-trien-1-amine
CID 145266138
6-methoxy-6-methylbenzo[7]annulene
CID 143726381
5-ethyl-5-methyl-1H-cyclohepta[d]imidazole
CID 166077226

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-cyclohepta[c]pyrazol-7-amine?
The IUPAC name of 7-methyl-1H-cyclohepta[c]pyrazol-7-amine (CID 123946475) is 7-methyl-1H-cyclohepta[c]pyrazol-7-amine.
What is the SMILES notation for 7-methyl-1H-cyclohepta[c]pyrazol-7-amine?
The canonical SMILES for 7-methyl-1H-cyclohepta[c]pyrazol-7-amine is CC1(N)C=CC=c2cn[nH]c2=C1.
What is the InChIKey of 7-methyl-1H-cyclohepta[c]pyrazol-7-amine?
The InChIKey is YDRJRDSIKMKLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-9(10)4-2-3-7-6-11-12-8(7)5-9/h2-6,12H,10H2,1H3.
What are the key properties of 7-methyl-1H-cyclohepta[c]pyrazol-7-amine?
7-methyl-1H-cyclohepta[c]pyrazol-7-amine has a molecular weight of 161.21 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-cyclohepta[c]pyrazol-7-amine is sourced from PubChem (CID 123946475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).