3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

C7H10N2 — CID 59820661

IUPAC3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESCc1n[nH]c2c1CCC2
InChIInChI=1S/C7H10N2/c1-5-6-3-2-4-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyIXNQBWLXUUVFBQ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.21
Rot. Bonds

About 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 59820661) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID59820661
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESCc1n[nH]c2c1CCC2
InChIInChI=1S/C7H10N2/c1-5-6-3-2-4-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyIXNQBWLXUUVFBQ-UHFFFAOYSA-N
XLogP1.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 163788791
1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one
CID 118458959
3-(difluoromethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 19616684
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonitrile
CID 23135139
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-sulfonyl chloride
CID 86812428
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine
CID 134128545
(1S)-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
CID 82414484
3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride
CID 138039911
N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
CID 63048851
methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azanium
CID 7236612
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 11159621

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 59820661) is 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is Cc1n[nH]c2c1CCC2.
What is the InChIKey of 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is IXNQBWLXUUVFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-6-3-2-4-7(6)9-8-5/h2-4H2,1H3,(H,8,9).
What are the key properties of 3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.21, 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-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 59820661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).