3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine

C8H16N4 — CID 112711213

IUPAC3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine
SMILESCNc1cc(NC)n(C(C)C)n1
InChIInChI=1S/C8H16N4/c1-6(2)12-8(10-4)5-7(9-3)11-12/h5-6,10H,1-4H3,(H,9,11)
InChIKeyPJAJAQHGARIKIT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.55
Rot. Bonds3

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

3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine (PubChem CID 112711213) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine
PubChem CID112711213
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine
SMILESCNc1cc(NC)n(C(C)C)n1
InChIInChI=1S/C8H16N4/c1-6(2)12-8(10-4)5-7(9-3)11-12/h5-6,10H,1-4H3,(H,9,11)
InChIKeyPJAJAQHGARIKIT-UHFFFAOYSA-N
XLogP1.55
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine?
The IUPAC name of 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine (CID 112711213) is 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine?
The canonical SMILES for 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine is CNc1cc(NC)n(C(C)C)n1.
What is the InChIKey of 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine?
The InChIKey is PJAJAQHGARIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)12-8(10-4)5-7(9-3)11-12/h5-6,10H,1-4H3,(H,9,11).
What are the key properties of 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine?
3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-dimethyl-1-propan-2-ylpyrazole-3,5-diamine is sourced from PubChem (CID 112711213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).