1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine

C13H27N5 — CID 21040020

IUPAC1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine
SMILESCCN(CC)c1c(N)cnn1CCC(C)N(C)C
InChIInChI=1S/C13H27N5/c1-6-17(7-2)13-12(14)10-15-18(13)9-8-11(3)16(4)5/h10-11H,6-9,14H2,1-5H3
InChIKeyDKBFNGXNPWPGNV-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.65
Rot. Bonds7

About 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine

1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine (PubChem CID 21040020) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine
PubChem CID21040020
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine
SMILESCCN(CC)c1c(N)cnn1CCC(C)N(C)C
InChIInChI=1S/C13H27N5/c1-6-17(7-2)13-12(14)10-15-18(13)9-8-11(3)16(4)5/h10-11H,6-9,14H2,1-5H3
InChIKeyDKBFNGXNPWPGNV-UHFFFAOYSA-N
XLogP1.65
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-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)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine?
The IUPAC name of 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine (CID 21040020) is 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine.
What is the SMILES notation for 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine?
The canonical SMILES for 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine is CCN(CC)c1c(N)cnn1CCC(C)N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine?
The InChIKey is DKBFNGXNPWPGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-6-17(7-2)13-12(14)10-15-18(13)9-8-11(3)16(4)5/h10-11H,6-9,14H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine?
1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)butyl]-5-N,5-N-diethylpyrazole-4,5-diamine is sourced from PubChem (CID 21040020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).