1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C7H14N4 — CID 66018774

IUPAC1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N)c1N
InChIInChI=1S/C7H14N4/c1-4(2)6-5(8)7(9)11(3)10-6/h4H,8-9H2,1-3H3
InChIKeyYUCKYLJJJATPKX-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.71
Rot. Bonds1

About 1-methyl-3-propan-2-ylpyrazole-4,5-diamine

1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66018774) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66018774
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N)c1N
InChIInChI=1S/C7H14N4/c1-4(2)6-5(8)7(9)11(3)10-6/h4H,8-9H2,1-3H3
InChIKeyYUCKYLJJJATPKX-UHFFFAOYSA-N
XLogP0.71
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.71
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-ylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66018774) is 1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(N)c1N.
What is the InChIKey of 1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is YUCKYLJJJATPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-4(2)6-5(8)7(9)11(3)10-6/h4H,8-9H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 154.22 g/mol, XLogP of 0.71, 1 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-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66018774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).