4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine

C15H21N3O — CID 117402644

IUPAC4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)ccc(C(C)C)c1-c1cnn(C)c1N
InChIInChI=1S/C15H21N3O/c1-9(2)11-7-6-10(3)14(19-5)13(11)12-8-17-18(4)15(12)16/h6-9H,16H2,1-5H3
InChIKeyLCHXNXWKXRTRFM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.11
Rot. Bonds3

About 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine

4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117402644) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117402644
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)ccc(C(C)C)c1-c1cnn(C)c1N
InChIInChI=1S/C15H21N3O/c1-9(2)11-7-6-10(3)14(19-5)13(11)12-8-17-18(4)15(12)16/h6-9H,16H2,1-5H3
InChIKeyLCHXNXWKXRTRFM-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine (CID 117402644) is 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine is COc1c(C)ccc(C(C)C)c1-c1cnn(C)c1N.
What is the InChIKey of 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is LCHXNXWKXRTRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9(2)11-7-6-10(3)14(19-5)13(11)12-8-17-18(4)15(12)16/h6-9H,16H2,1-5H3.
What are the key properties of 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117402644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).