(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine

C8H13N3 — CID 82417265

IUPAC(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine
SMILESCc1[nH]nc2c1CC(CN)C2
InChIInChI=1S/C8H13N3/c1-5-7-2-6(4-9)3-8(7)11-10-5/h6H,2-4,9H2,1H3,(H,10,11)
InChIKeyMHYGOGJKGDEEMK-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.39
Rot. Bonds1

About (3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine

(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine (PubChem CID 82417265) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine
PubChem CID82417265
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine
SMILESCc1[nH]nc2c1CC(CN)C2
InChIInChI=1S/C8H13N3/c1-5-7-2-6(4-9)3-8(7)11-10-5/h6H,2-4,9H2,1H3,(H,10,11)
InChIKeyMHYGOGJKGDEEMK-UHFFFAOYSA-N
XLogP0.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.39
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-5-yl)methanamine?
The IUPAC name of (3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine (CID 82417265) is (3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine.
What is the SMILES notation for (3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine?
The canonical SMILES for (3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine is Cc1[nH]nc2c1CC(CN)C2.
What is the InChIKey of (3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine?
The InChIKey is MHYGOGJKGDEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-7-2-6(4-9)3-8(7)11-10-5/h6H,2-4,9H2,1H3,(H,10,11).
What are the key properties of (3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine?
(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)methanamine has a molecular weight of 151.21 g/mol, XLogP of 0.39, 1 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-5-yl)methanamine is sourced from PubChem (CID 82417265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).