5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine

C11H18N6 — CID 66019297

IUPAC5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2cnc[nH]2)c1N
InChIInChI=1S/C11H18N6/c1-3-4-9-10(12)11(17(2)16-9)14-6-8-5-13-7-15-8/h5,7,14H,3-4,6,12H2,1-2H3,(H,13,15)
InChIKeyKXOHPHOBKTYIOV-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.29
Rot. Bonds5

About 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine

5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66019297) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66019297
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCc2cnc[nH]2)c1N
InChIInChI=1S/C11H18N6/c1-3-4-9-10(12)11(17(2)16-9)14-6-8-5-13-7-15-8/h5,7,14H,3-4,6,12H2,1-2H3,(H,13,15)
InChIKeyKXOHPHOBKTYIOV-UHFFFAOYSA-N
XLogP1.29
TPSA84.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66019297) is 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NCc2cnc[nH]2)c1N.
What is the InChIKey of 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is KXOHPHOBKTYIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-4-9-10(12)11(17(2)16-9)14-6-8-5-13-7-15-8/h5,7,14H,3-4,6,12H2,1-2H3,(H,13,15).
What are the key properties of 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 234.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-imidazol-5-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).