2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine

C11H22N4 — CID 103389327

IUPAC2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
SMILESCc1nn(C(C)C)c(C)c1NC(C)CN
InChIInChI=1S/C11H22N4/c1-7(2)15-10(5)11(9(4)14-15)13-8(3)6-12/h7-8,13H,6,12H2,1-5H3
InChIKeyHBWCWDLNYWZASV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.84
Rot. Bonds4

About 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine

2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine (PubChem CID 103389327) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
PubChem CID103389327
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
SMILESCc1nn(C(C)C)c(C)c1NC(C)CN
InChIInChI=1S/C11H22N4/c1-7(2)15-10(5)11(9(4)14-15)13-8(3)6-12/h7-8,13H,6,12H2,1-5H3
InChIKeyHBWCWDLNYWZASV-UHFFFAOYSA-N
XLogP1.84
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine (CID 103389327) is 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine is Cc1nn(C(C)C)c(C)c1NC(C)CN.
What is the InChIKey of 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine?
The InChIKey is HBWCWDLNYWZASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-7(2)15-10(5)11(9(4)14-15)13-8(3)6-12/h7-8,13H,6,12H2,1-5H3.
What are the key properties of 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine?
2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine is sourced from PubChem (CID 103389327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).