3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine

C8H18N4 — CID 70572818

IUPAC3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine
SMILESCC1=C(N)C(C)N(N)N1C(C)C
InChIInChI=1S/C8H18N4/c1-5(2)11-6(3)8(9)7(4)12(11)10/h5,7H,9-10H2,1-4H3
InChIKeyLGJKHHVEGSTJKI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.38
Rot. Bonds1

About 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine

3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine (PubChem CID 70572818) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine
PubChem CID70572818
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine
SMILESCC1=C(N)C(C)N(N)N1C(C)C
InChIInChI=1S/C8H18N4/c1-5(2)11-6(3)8(9)7(4)12(11)10/h5,7H,9-10H2,1-4H3
InChIKeyLGJKHHVEGSTJKI-UHFFFAOYSA-N
XLogP0.38
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine (CID 70572818) is 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine is CC1=C(N)C(C)N(N)N1C(C)C.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine?
The InChIKey is LGJKHHVEGSTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-5(2)11-6(3)8(9)7(4)12(11)10/h5,7H,9-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine?
3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine is sourced from PubChem (CID 70572818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).