5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C13H26N4 — CID 66028933

IUPAC5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCCCC(C)Nc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C13H26N4/c1-6-7-8-10(4)15-13-12(14)11(5)16-17(13)9(2)3/h9-10,15H,6-8,14H2,1-5H3
InChIKeyQYZSNNAPUZVIDY-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.35
Rot. Bonds6

About 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66028933) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66028933
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCCCC(C)Nc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C13H26N4/c1-6-7-8-10(4)15-13-12(14)11(5)16-17(13)9(2)3/h9-10,15H,6-8,14H2,1-5H3
InChIKeyQYZSNNAPUZVIDY-UHFFFAOYSA-N
XLogP3.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
CID 66029865
1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
CID 66011661
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
CID 70039786
(2S)-2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248672
5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027530
5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011618
3-methyl-5-N-octan-4-yl-1-propylpyrazole-4,5-diamine
CID 106022611
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027569
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66029301
5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 113476976

Frequently Asked Questions

What is the IUPAC name of 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66028933) is 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is CCCCC(C)Nc1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is QYZSNNAPUZVIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-7-8-10(4)15-13-12(14)11(5)16-17(13)9(2)3/h9-10,15H,6-8,14H2,1-5H3.
What are the key properties of 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66028933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).