[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine

C14H19N3 — CID 82081655

IUPAC[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
SMILESCc1cccc(-n2nc(CN)cc2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-10(2)14-8-12(9-15)16-17(14)13-6-4-5-11(3)7-13/h4-8,10H,9,15H2,1-3H3
InChIKeyOGTINYKIVOPENO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.76
Rot. Bonds3

About [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine

[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine (PubChem CID 82081655) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
PubChem CID82081655
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
SMILESCc1cccc(-n2nc(CN)cc2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-10(2)14-8-12(9-15)16-17(14)13-6-4-5-11(3)7-13/h4-8,10H,9,15H2,1-3H3
InChIKeyOGTINYKIVOPENO-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine (CID 82081655) is [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine is Cc1cccc(-n2nc(CN)cc2C(C)C)c1.
What is the InChIKey of [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine?
The InChIKey is OGTINYKIVOPENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)14-8-12(9-15)16-17(14)13-6-4-5-11(3)7-13/h4-8,10H,9,15H2,1-3H3.
What are the key properties of [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine?
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82081655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).