1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride

C7H13Cl2N3 — CID 74889852

IUPAC1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1n[nH]c2c1CCC2
InChIInChI=1S/C7H11N3.2ClH/c8-4-7-5-2-1-3-6(5)9-10-7;;/h1-4,8H2,(H,9,10);2*1H
InChIKeyUDMOHPTUFHIQGA-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.20
Rot. Bonds1

About 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride

1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride (PubChem CID 74889852) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride
PubChem CID74889852
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1n[nH]c2c1CCC2
InChIInChI=1S/C7H11N3.2ClH/c8-4-7-5-2-1-3-6(5)9-10-7;;/h1-4,8H2,(H,9,10);2*1H
InChIKeyUDMOHPTUFHIQGA-UHFFFAOYSA-N
XLogP1.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride (CID 74889852) is 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride is Cl.Cl.NCc1n[nH]c2c1CCC2.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride?
The InChIKey is UDMOHPTUFHIQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c8-4-7-5-2-1-3-6(5)9-10-7;;/h1-4,8H2,(H,9,10);2*1H.
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride?
1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 74889852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).