[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine

C13H19N3 — CID 82072596

IUPAC[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
SMILESCC(C)c1ccc(C2CC(CN)=NN2)cc1
InChIInChI=1S/C13H19N3/c1-9(2)10-3-5-11(6-4-10)13-7-12(8-14)15-16-13/h3-6,9,13,16H,7-8,14H2,1-2H3
InChIKeyOLXGPXRAAZETCN-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.16
Rot. Bonds3

About [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine

[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine (PubChem CID 82072596) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
PubChem CID82072596
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
SMILESCC(C)c1ccc(C2CC(CN)=NN2)cc1
InChIInChI=1S/C13H19N3/c1-9(2)10-3-5-11(6-4-10)13-7-12(8-14)15-16-13/h3-6,9,13,16H,7-8,14H2,1-2H3
InChIKeyOLXGPXRAAZETCN-UHFFFAOYSA-N
XLogP2.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The IUPAC name of [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine (CID 82072596) is [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The canonical SMILES for [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine is CC(C)c1ccc(C2CC(CN)=NN2)cc1.
What is the InChIKey of [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The InChIKey is OLXGPXRAAZETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)10-3-5-11(6-4-10)13-7-12(8-14)15-16-13/h3-6,9,13,16H,7-8,14H2,1-2H3.
What are the key properties of [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).