3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine

C11H22N4 — CID 66014562

IUPAC3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
SMILESCCCCCNc1c(N)c(CC)nn1C
InChIInChI=1S/C11H22N4/c1-4-6-7-8-13-11-10(12)9(5-2)14-15(11)3/h13H,4-8,12H2,1-3H3
InChIKeyAWOCSPJKHYLOCU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.17
Rot. Bonds6

About 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine

3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine (PubChem CID 66014562) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
PubChem CID66014562
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
SMILESCCCCCNc1c(N)c(CC)nn1C
InChIInChI=1S/C11H22N4/c1-4-6-7-8-13-11-10(12)9(5-2)14-15(11)3/h13H,4-8,12H2,1-3H3
InChIKeyAWOCSPJKHYLOCU-UHFFFAOYSA-N
XLogP2.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine (CID 66014562) is 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine is CCCCCNc1c(N)c(CC)nn1C.
What is the InChIKey of 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine?
The InChIKey is AWOCSPJKHYLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-6-7-8-13-11-10(12)9(5-2)14-15(11)3/h13H,4-8,12H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine is sourced from PubChem (CID 66014562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).