[1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine

C14H19N3 — CID 121213567

IUPAC[1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine
SMILESCC(C)Cn1cc(CN)c(-c2ccccc2)n1
InChIInChI=1S/C14H19N3/c1-11(2)9-17-10-13(8-15)14(16-17)12-6-4-3-5-7-12/h3-7,10-11H,8-9,15H2,1-2H3
InChIKeyGLAUHNAYGDRQBG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.66
Rot. Bonds4

About [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine

[1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine (PubChem CID 121213567) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine
PubChem CID121213567
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine
SMILESCC(C)Cn1cc(CN)c(-c2ccccc2)n1
InChIInChI=1S/C14H19N3/c1-11(2)9-17-10-13(8-15)14(16-17)12-6-4-3-5-7-12/h3-7,10-11H,8-9,15H2,1-2H3
InChIKeyGLAUHNAYGDRQBG-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine (CID 121213567) is [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine is CC(C)Cn1cc(CN)c(-c2ccccc2)n1.
What is the InChIKey of [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine?
The InChIKey is GLAUHNAYGDRQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)9-17-10-13(8-15)14(16-17)12-6-4-3-5-7-12/h3-7,10-11H,8-9,15H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine?
[1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine is sourced from PubChem (CID 121213567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).