2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine

C16H23N3O — CID 96669271

IUPAC2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
SMILESCc1cc(-c2cc(CCN)nn2C)ccc1OC(C)C
InChIInChI=1S/C16H23N3O/c1-11(2)20-16-6-5-13(9-12(16)3)15-10-14(7-8-17)18-19(15)4/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyTZSCAQNLYNIOEZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds5

About 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine

2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine (PubChem CID 96669271) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
PubChem CID96669271
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
SMILESCc1cc(-c2cc(CCN)nn2C)ccc1OC(C)C
InChIInChI=1S/C16H23N3O/c1-11(2)20-16-6-5-13(9-12(16)3)15-10-14(7-8-17)18-19(15)4/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyTZSCAQNLYNIOEZ-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 98022877
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
[5-(4-methoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159588
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95475893
2-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]ethanamine
CID 82478930
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
CID 95474508
5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82474889
[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 82484193
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine (CID 96669271) is 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine is Cc1cc(-c2cc(CCN)nn2C)ccc1OC(C)C.
What is the InChIKey of 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine?
The InChIKey is TZSCAQNLYNIOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)20-16-6-5-13(9-12(16)3)15-10-14(7-8-17)18-19(15)4/h5-6,9-11H,7-8,17H2,1-4H3.
What are the key properties of 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine?
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 96669271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).