[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine

C14H19N3 — CID 66099328

IUPAC[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
SMILESCCCn1ncc(-c2ccccc2CN)c1C
InChIInChI=1S/C14H19N3/c1-3-8-17-11(2)14(10-16-17)13-7-5-4-6-12(13)9-15/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyOCGZNPPXJFURRI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.73
Rot. Bonds4

About [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine

[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine (PubChem CID 66099328) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
PubChem CID66099328
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
SMILESCCCn1ncc(-c2ccccc2CN)c1C
InChIInChI=1S/C14H19N3/c1-3-8-17-11(2)14(10-16-17)13-7-5-4-6-12(13)9-15/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyOCGZNPPXJFURRI-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine (CID 66099328) is [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine is CCCn1ncc(-c2ccccc2CN)c1C.
What is the InChIKey of [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is OCGZNPPXJFURRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-8-17-11(2)14(10-16-17)13-7-5-4-6-12(13)9-15/h4-7,10H,3,8-9,15H2,1-2H3.
What are the key properties of [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine?
[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 66099328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).