3-N,1-di(propan-2-yl)pyrazole-3,4-diamine

C9H18N4 — CID 90481048

IUPAC3-N,1-di(propan-2-yl)pyrazole-3,4-diamine
SMILESCC(C)Nc1nn(C(C)C)cc1N
InChIInChI=1S/C9H18N4/c1-6(2)11-9-8(10)5-13(12-9)7(3)4/h5-7H,10H2,1-4H3,(H,11,12)
InChIKeyRJFQBEMLUPKGSV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.87
Rot. Bonds3

About 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine

3-N,1-di(propan-2-yl)pyrazole-3,4-diamine (PubChem CID 90481048) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N,1-di(propan-2-yl)pyrazole-3,4-diamine
PubChem CID90481048
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-N,1-di(propan-2-yl)pyrazole-3,4-diamine
SMILESCC(C)Nc1nn(C(C)C)cc1N
InChIInChI=1S/C9H18N4/c1-6(2)11-9-8(10)5-13(12-9)7(3)4/h5-7H,10H2,1-4H3,(H,11,12)
InChIKeyRJFQBEMLUPKGSV-UHFFFAOYSA-N
XLogP1.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine?
The IUPAC name of 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine (CID 90481048) is 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine.
What is the SMILES notation for 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine?
The canonical SMILES for 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine is CC(C)Nc1nn(C(C)C)cc1N.
What is the InChIKey of 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine?
The InChIKey is RJFQBEMLUPKGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-6(2)11-9-8(10)5-13(12-9)7(3)4/h5-7H,10H2,1-4H3,(H,11,12).
What are the key properties of 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine?
3-N,1-di(propan-2-yl)pyrazole-3,4-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,1-di(propan-2-yl)pyrazole-3,4-diamine is sourced from PubChem (CID 90481048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).