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

C14H27N5 — CID 66029788

IUPAC3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCCCN1CCCC1
InChIInChI=1S/C14H27N5/c1-3-8-19-14(13(15)12(2)17-19)16-7-6-11-18-9-4-5-10-18/h16H,3-11,15H2,1-2H3
InChIKeyXSLYRDPCACQEAX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.08
Rot. Bonds7

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

3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine (PubChem CID 66029788) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
PubChem CID66029788
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCCCN1CCCC1
InChIInChI=1S/C14H27N5/c1-3-8-19-14(13(15)12(2)17-19)16-7-6-11-18-9-4-5-10-18/h16H,3-11,15H2,1-2H3
InChIKeyXSLYRDPCACQEAX-UHFFFAOYSA-N
XLogP2.08
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.08
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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Related Compounds

1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
CID 55140744
5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 106007196
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
3-methyl-4-nitro-1-propyl-N-(2-pyrrolidin-1-ylethyl)pyrazol-5-amine
CID 66027801
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
5-N-[2-(azepan-1-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027942
5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
CID 66029209
3-methyl-5-(2-piperidin-1-ylethoxy)-1-propylpyrazol-4-amine
CID 66029042
3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine
CID 66029174
5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029181
3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine
CID 106036104
5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66028751

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine (CID 66029788) is 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCCCN1CCCC1.
What is the InChIKey of 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine?
The InChIKey is XSLYRDPCACQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-3-8-19-14(13(15)12(2)17-19)16-7-6-11-18-9-4-5-10-18/h16H,3-11,15H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine?
3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66029788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).