1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine

C13H26N4 — CID 66018408

IUPAC1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC(Nc1c(N)c(C(C)C)nn1C)C(C)C
InChIInChI=1S/C13H26N4/c1-7-10(8(2)3)15-13-11(14)12(9(4)5)16-17(13)6/h8-10,15H,7,14H2,1-6H3
InChIKeyOLPIQMXUAPHERG-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.97
Rot. Bonds5

About 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine

1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66018408) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66018408
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC(Nc1c(N)c(C(C)C)nn1C)C(C)C
InChIInChI=1S/C13H26N4/c1-7-10(8(2)3)15-13-11(14)12(9(4)5)16-17(13)6/h8-10,15H,7,14H2,1-6H3
InChIKeyOLPIQMXUAPHERG-UHFFFAOYSA-N
XLogP2.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine (CID 66018408) is 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine is CCC(Nc1c(N)c(C(C)C)nn1C)C(C)C.
What is the InChIKey of 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is OLPIQMXUAPHERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-7-10(8(2)3)15-13-11(14)12(9(4)5)16-17(13)6/h8-10,15H,7,14H2,1-6H3.
What are the key properties of 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine?
1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66018408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).