5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

C14H19BrN4 — CID 66028825

IUPAC5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(C)c(Br)c1
InChIInChI=1S/C14H19BrN4/c1-4-7-19-14(13(16)10(3)18-19)17-11-6-5-9(2)12(15)8-11/h5-6,8,17H,4,7,16H2,1-3H3
InChIKeyFIDUFDJRCBBGSP-UHFFFAOYSA-N
MW323.24 g/mol
LogP4.00
Rot. Bonds4

About 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66028825) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66028825
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(C)c(Br)c1
InChIInChI=1S/C14H19BrN4/c1-4-7-19-14(13(16)10(3)18-19)17-11-6-5-9(2)12(15)8-11/h5-6,8,17H,4,7,16H2,1-3H3
InChIKeyFIDUFDJRCBBGSP-UHFFFAOYSA-N
XLogP4.00
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (CID 66028825) is 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1Nc1ccc(C)c(Br)c1.
What is the InChIKey of 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is FIDUFDJRCBBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-4-7-19-14(13(16)10(3)18-19)17-11-6-5-9(2)12(15)8-11/h5-6,8,17H,4,7,16H2,1-3H3.
What are the key properties of 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 323.24 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66028825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).