1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine

C11H23N5 — CID 21040021

IUPAC1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine
SMILESCCN(C)c1c(N)cnn1CCCN(C)C
InChIInChI=1S/C11H23N5/c1-5-15(4)11-10(12)9-13-16(11)8-6-7-14(2)3/h9H,5-8,12H2,1-4H3
InChIKeyIPFVJXNIKMAZPZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.87
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine

1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine (PubChem CID 21040021) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine
PubChem CID21040021
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine
SMILESCCN(C)c1c(N)cnn1CCCN(C)C
InChIInChI=1S/C11H23N5/c1-5-15(4)11-10(12)9-13-16(11)8-6-7-14(2)3/h9H,5-8,12H2,1-4H3
InChIKeyIPFVJXNIKMAZPZ-UHFFFAOYSA-N
XLogP0.87
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine (CID 21040021) is 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine is CCN(C)c1c(N)cnn1CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine?
The InChIKey is IPFVJXNIKMAZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-5-15(4)11-10(12)9-13-16(11)8-6-7-14(2)3/h9H,5-8,12H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine?
1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine has a molecular weight of 225.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-methylpyrazole-4,5-diamine is sourced from PubChem (CID 21040021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).