1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine

C14H19N3O — CID 117365754

IUPAC1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine
SMILESCc1cccc(OC(C)C)c1-c1cc(N)n(C)n1
InChIInChI=1S/C14H19N3O/c1-9(2)18-12-7-5-6-10(3)14(12)11-8-13(15)17(4)16-11/h5-9H,15H2,1-4H3
InChIKeyYKAPXVUVYZEAQR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.76
Rot. Bonds3

About 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine

1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine (PubChem CID 117365754) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine
PubChem CID117365754
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine
SMILESCc1cccc(OC(C)C)c1-c1cc(N)n(C)n1
InChIInChI=1S/C14H19N3O/c1-9(2)18-12-7-5-6-10(3)14(12)11-8-13(15)17(4)16-11/h5-9H,15H2,1-4H3
InChIKeyYKAPXVUVYZEAQR-UHFFFAOYSA-N
XLogP2.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117413350
2-(2-methyl-6-propan-2-yloxyphenyl)propan-2-amine
CID 117296721
3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine
CID 136986107
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline
CID 113393421
2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
CID 107655528
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol
CID 115111899

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine (CID 117365754) is 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine is Cc1cccc(OC(C)C)c1-c1cc(N)n(C)n1.
What is the InChIKey of 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine?
The InChIKey is YKAPXVUVYZEAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)18-12-7-5-6-10(3)14(12)11-8-13(15)17(4)16-11/h5-9H,15H2,1-4H3.
What are the key properties of 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine?
1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 117365754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).