1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine

C16H24N4O — CID 66019039

IUPAC1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(Nc2ccc(OC(C)C)cc2)c1N
InChIInChI=1S/C16H24N4O/c1-5-6-14-15(17)16(20(4)19-14)18-12-7-9-13(10-8-12)21-11(2)3/h7-11,18H,5-6,17H2,1-4H3
InChIKeyLWUANBBTKXNENI-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.49
Rot. Bonds6

About 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine

1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine (PubChem CID 66019039) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine
PubChem CID66019039
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(Nc2ccc(OC(C)C)cc2)c1N
InChIInChI=1S/C16H24N4O/c1-5-6-14-15(17)16(20(4)19-14)18-12-7-9-13(10-8-12)21-11(2)3/h7-11,18H,5-6,17H2,1-4H3
InChIKeyLWUANBBTKXNENI-UHFFFAOYSA-N
XLogP3.49
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine (CID 66019039) is 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(Nc2ccc(OC(C)C)cc2)c1N.
What is the InChIKey of 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine?
The InChIKey is LWUANBBTKXNENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-6-14-15(17)16(20(4)19-14)18-12-7-9-13(10-8-12)21-11(2)3/h7-11,18H,5-6,17H2,1-4H3.
What are the key properties of 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine has a molecular weight of 288.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).