3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine

C7H11N3 — CID 66489442

IUPAC3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
SMILESCc1[nH]nc2c1C(N)CC2
InChIInChI=1S/C7H11N3/c1-4-7-5(8)2-3-6(7)10-9-4/h5H,2-3,8H2,1H3,(H,9,10)
InChIKeyBIJIVHBNKSVHNZ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.66
Rot. Bonds

About 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine

3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine (PubChem CID 66489442) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
PubChem CID66489442
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
SMILESCc1[nH]nc2c1C(N)CC2
InChIInChI=1S/C7H11N3/c1-4-7-5(8)2-3-6(7)10-9-4/h5H,2-3,8H2,1H3,(H,9,10)
InChIKeyBIJIVHBNKSVHNZ-UHFFFAOYSA-N
XLogP0.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The IUPAC name of 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine (CID 66489442) is 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The canonical SMILES for 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine is Cc1[nH]nc2c1C(N)CC2.
What is the InChIKey of 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The InChIKey is BIJIVHBNKSVHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-7-5(8)2-3-6(7)10-9-4/h5H,2-3,8H2,1H3,(H,9,10).
What are the key properties of 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine has a molecular weight of 137.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine is sourced from PubChem (CID 66489442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).