[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride

C14H20ClN3 — CID 171364566

IUPAC[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
SMILESCCCn1cc(-c2cccc(CN)c2C)cn1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-3-7-17-10-13(9-16-17)14-6-4-5-12(8-15)11(14)2;/h4-6,9-10H,3,7-8,15H2,1-2H3;1H
InChIKeyBMVADWLAJRXLHG-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.15
Rot. Bonds4

About [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride

[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride (PubChem CID 171364566) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
PubChem CID171364566
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
SMILESCCCn1cc(-c2cccc(CN)c2C)cn1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-3-7-17-10-13(9-16-17)14-6-4-5-12(8-15)11(14)2;/h4-6,9-10H,3,7-8,15H2,1-2H3;1H
InChIKeyBMVADWLAJRXLHG-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride (CID 171364566) is [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride is CCCn1cc(-c2cccc(CN)c2C)cn1.Cl.
What is the InChIKey of [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride?
The InChIKey is BMVADWLAJRXLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-3-7-17-10-13(9-16-17)14-6-4-5-12(8-15)11(14)2;/h4-6,9-10H,3,7-8,15H2,1-2H3;1H.
What are the key properties of [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride?
[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171364566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).