4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine

C12H16N4 — CID 129245715

IUPAC4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine
SMILESCC(C)n1nccc1-c1ccc(N)c(N)c1
InChIInChI=1S/C12H16N4/c1-8(2)16-12(5-6-15-16)9-3-4-10(13)11(14)7-9/h3-8H,13-14H2,1-2H3
InChIKeySTAZTCQHFLLNGS-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.30
Rot. Bonds2

About 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine

4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine (PubChem CID 129245715) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine
PubChem CID129245715
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine
SMILESCC(C)n1nccc1-c1ccc(N)c(N)c1
InChIInChI=1S/C12H16N4/c1-8(2)16-12(5-6-15-16)9-3-4-10(13)11(14)7-9/h3-8H,13-14H2,1-2H3
InChIKeySTAZTCQHFLLNGS-UHFFFAOYSA-N
XLogP2.30
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine?
The IUPAC name of 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine (CID 129245715) is 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine is CC(C)n1nccc1-c1ccc(N)c(N)c1.
What is the InChIKey of 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine?
The InChIKey is STAZTCQHFLLNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)16-12(5-6-15-16)9-3-4-10(13)11(14)7-9/h3-8H,13-14H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine?
4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine has a molecular weight of 216.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylpyrazol-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 129245715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).