1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine

C12H23N5 — CID 55140744

IUPAC1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCCN2CCCC2)c1N
InChIInChI=1S/C12H23N5/c1-10-11(13)12(16(2)15-10)14-6-5-9-17-7-3-4-8-17/h14H,3-9,13H2,1-2H3
InChIKeySTEDLNATNKFZCC-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.21
Rot. Bonds5

About 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine (PubChem CID 55140744) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
PubChem CID55140744
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCCN2CCCC2)c1N
InChIInChI=1S/C12H23N5/c1-10-11(13)12(16(2)15-10)14-6-5-9-17-7-3-4-8-17/h14H,3-9,13H2,1-2H3
InChIKeySTEDLNATNKFZCC-UHFFFAOYSA-N
XLogP1.21
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine (CID 55140744) is 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine is Cc1nn(C)c(NCCCN2CCCC2)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine?
The InChIKey is STEDLNATNKFZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10-11(13)12(16(2)15-10)14-6-5-9-17-7-3-4-8-17/h14H,3-9,13H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 55140744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).