5-(3,4-dimethylphenyl)pyrazolidin-3-amine

C11H17N3 — CID 53406909

IUPAC5-(3,4-dimethylphenyl)pyrazolidin-3-amine
SMILESCc1ccc(C2CC(N)NN2)cc1C
InChIInChI=1S/C11H17N3/c1-7-3-4-9(5-8(7)2)10-6-11(12)14-13-10/h3-5,10-11,13-14H,6,12H2,1-2H3
InChIKeyKHIYRDXPRAONQN-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.13
Rot. Bonds1

About 5-(3,4-dimethylphenyl)pyrazolidin-3-amine

5-(3,4-dimethylphenyl)pyrazolidin-3-amine (PubChem CID 53406909) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)pyrazolidin-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)pyrazolidin-3-amine
PubChem CID53406909
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-(3,4-dimethylphenyl)pyrazolidin-3-amine
SMILESCc1ccc(C2CC(N)NN2)cc1C
InChIInChI=1S/C11H17N3/c1-7-3-4-9(5-8(7)2)10-6-11(12)14-13-10/h3-5,10-11,13-14H,6,12H2,1-2H3
InChIKeyKHIYRDXPRAONQN-UHFFFAOYSA-N
XLogP1.13
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)pyrazolidin-3-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)pyrazolidin-3-amine (CID 53406909) is 5-(3,4-dimethylphenyl)pyrazolidin-3-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)pyrazolidin-3-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)pyrazolidin-3-amine is Cc1ccc(C2CC(N)NN2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)pyrazolidin-3-amine?
The InChIKey is KHIYRDXPRAONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7-3-4-9(5-8(7)2)10-6-11(12)14-13-10/h3-5,10-11,13-14H,6,12H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)pyrazolidin-3-amine?
5-(3,4-dimethylphenyl)pyrazolidin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)pyrazolidin-3-amine is sourced from PubChem (CID 53406909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).