1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine

C13H26N4 — CID 55001820

IUPAC1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine
SMILESCCCCCN(c1c(N)c(C)nn1C)C(C)C
InChIInChI=1S/C13H26N4/c1-6-7-8-9-17(10(2)3)13-12(14)11(4)15-16(13)5/h10H,6-9,14H2,1-5H3
InChIKeyZBUONBSLTBIKLR-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.72
Rot. Bonds6

About 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine

1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine (PubChem CID 55001820) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine
PubChem CID55001820
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine
SMILESCCCCCN(c1c(N)c(C)nn1C)C(C)C
InChIInChI=1S/C13H26N4/c1-6-7-8-9-17(10(2)3)13-12(14)11(4)15-16(13)5/h10H,6-9,14H2,1-5H3
InChIKeyZBUONBSLTBIKLR-UHFFFAOYSA-N
XLogP2.72
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine (CID 55001820) is 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine is CCCCCN(c1c(N)c(C)nn1C)C(C)C.
What is the InChIKey of 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is ZBUONBSLTBIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-7-8-9-17(10(2)3)13-12(14)11(4)15-16(13)5/h10H,6-9,14H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine?
1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 55001820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).