1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine

C16H24N4 — CID 66018377

IUPAC1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
SMILESCC(C)c1ccc(Nc2c(N)c(C(C)C)nn2C)cc1
InChIInChI=1S/C16H24N4/c1-10(2)12-6-8-13(9-7-12)18-16-14(17)15(11(3)4)19-20(16)5/h6-11,18H,17H2,1-5H3
InChIKeyFJVDNUWRERRIAP-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.99
Rot. Bonds4

About 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine

1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine (PubChem CID 66018377) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
PubChem CID66018377
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
SMILESCC(C)c1ccc(Nc2c(N)c(C(C)C)nn2C)cc1
InChIInChI=1S/C16H24N4/c1-10(2)12-6-8-13(9-7-12)18-16-14(17)15(11(3)4)19-20(16)5/h6-11,18H,17H2,1-5H3
InChIKeyFJVDNUWRERRIAP-UHFFFAOYSA-N
XLogP3.99
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine (CID 66018377) is 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine is CC(C)c1ccc(Nc2c(N)c(C(C)C)nn2C)cc1.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine?
The InChIKey is FJVDNUWRERRIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-10(2)12-6-8-13(9-7-12)18-16-14(17)15(11(3)4)19-20(16)5/h6-11,18H,17H2,1-5H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine?
1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66018377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).