3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole

C9H14N2 — CID 23279515

IUPAC3-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole
SMILESCC1=C2CCCCCC2=NN1
InChIInChI=1S/C9H14N2/c1-7-8-5-3-2-4-6-9(8)11-10-7/h2-6H2,1H3,(H,10,11)
InChIKeyWNKIONISJOAGGC-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.40
Rot. Bonds

About 3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole

3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole (PubChem CID 23279515) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole.

Molecular Properties

Compound Name3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole
PubChem CID23279515
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole
SMILESCC1=C2CCCCCC2=NN1
InChIInChI=1S/C9H14N2/c1-7-8-5-3-2-4-6-9(8)11-10-7/h2-6H2,1H3,(H,10,11)
InChIKeyWNKIONISJOAGGC-UHFFFAOYSA-N
XLogP2.40
TPSA28.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Pentyl-4,5,6,7-tetrahydro-1H-indazole
CID 585962
3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
CID 852826
3,5-Diethyl-4-methylpyrazole
CID 139517
3-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 312127
4-(3-Bromopropyl)-3,5-dimethyl-1H-pyrazole
CID 129600822
3,5-Di-t-butyl-4-methylpyrazole
CID 140411
1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazole
CID 12200544
3-ethyl-4,5-dimethyl-1H-pyrazole
CID 2753139
4-Ethyl-3,5-dipropyl-1H-pyrazole
CID 586388
1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-
CID 5245630
3-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 12204862
3-Isopropyl-4,5,6,7-tetrahydro-1H-indazole
CID 5226481

Frequently Asked Questions

What is the IUPAC name of 3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole?
The IUPAC name of 3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole (CID 23279515) is 3-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole.
What is the SMILES notation for 3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole?
The canonical SMILES for 3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole is CC1=C2CCCCCC2=NN1.
What is the InChIKey of 3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole?
The InChIKey is WNKIONISJOAGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-8-5-3-2-4-6-9(8)11-10-7/h2-6H2,1H3,(H,10,11).
What are the key properties of 3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole?
3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole is sourced from PubChem (CID 23279515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).