1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine

C14H28N4 — CID 66018319

IUPAC1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)CCC(C)C)c1N
InChIInChI=1S/C14H28N4/c1-6-7-12-13(15)14(18(5)17-12)16-11(4)9-8-10(2)3/h10-11,16H,6-9,15H2,1-5H3
InChIKeyBOYRFLHQIHVAJI-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.19
Rot. Bonds7

About 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine

1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine (PubChem CID 66018319) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine
PubChem CID66018319
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC(C)CCC(C)C)c1N
InChIInChI=1S/C14H28N4/c1-6-7-12-13(15)14(18(5)17-12)16-11(4)9-8-10(2)3/h10-11,16H,6-9,15H2,1-5H3
InChIKeyBOYRFLHQIHVAJI-UHFFFAOYSA-N
XLogP3.19
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.19
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-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine (CID 66018319) is 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC(C)CCC(C)C)c1N.
What is the InChIKey of 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine?
The InChIKey is BOYRFLHQIHVAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-7-12-13(15)14(18(5)17-12)16-11(4)9-8-10(2)3/h10-11,16H,6-9,15H2,1-5H3.
What are the key properties of 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine has a molecular weight of 252.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66018319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).