5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine

C12H24N4 — CID 66029669

IUPAC5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCC(C)N(C)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4/c1-7-9(4)15(6)12-11(13)10(5)14-16(12)8(2)3/h8-9H,7,13H2,1-6H3
InChIKeyDNKJXXCDPSZLCT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.59
Rot. Bonds4

About 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66029669) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66029669
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCC(C)N(C)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4/c1-7-9(4)15(6)12-11(13)10(5)14-16(12)8(2)3/h8-9H,7,13H2,1-6H3
InChIKeyDNKJXXCDPSZLCT-UHFFFAOYSA-N
XLogP2.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66029669) is 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine is CCC(C)N(C)c1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is DNKJXXCDPSZLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-7-9(4)15(6)12-11(13)10(5)14-16(12)8(2)3/h8-9H,7,13H2,1-6H3.
What are the key properties of 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66029669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).