3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine

C9H16N6 — CID 142854823

IUPAC3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine
SMILESNC1=CC(N)(CCCn2ccnc2)NN1
InChIInChI=1S/C9H16N6/c10-8-6-9(11,14-13-8)2-1-4-15-5-3-12-7-15/h3,5-7,13-14H,1-2,4,10-11H2
InChIKeyZHBFAXUAQKGAGG-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.77
Rot. Bonds4

About 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine

3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine (PubChem CID 142854823) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine
PubChem CID142854823
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine
SMILESNC1=CC(N)(CCCn2ccnc2)NN1
InChIInChI=1S/C9H16N6/c10-8-6-9(11,14-13-8)2-1-4-15-5-3-12-7-15/h3,5-7,13-14H,1-2,4,10-11H2
InChIKeyZHBFAXUAQKGAGG-UHFFFAOYSA-N
XLogP-0.77
TPSA93.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine (CID 142854823) is 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine is NC1=CC(N)(CCCn2ccnc2)NN1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine?
The InChIKey is ZHBFAXUAQKGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c10-8-6-9(11,14-13-8)2-1-4-15-5-3-12-7-15/h3,5-7,13-14H,1-2,4,10-11H2.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine?
3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine has a molecular weight of 208.27 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-1,2-dihydropyrazole-3,5-diamine is sourced from PubChem (CID 142854823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).