3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

C17H23N3O — CID 83149949

IUPAC3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(C)cc1-c1c(C(C)C2CC2)nn(C)c1N
InChIInChI=1S/C17H23N3O/c1-10-5-8-14(21-4)13(9-10)15-16(11(2)12-6-7-12)19-20(3)17(15)18/h5,8-9,11-12H,6-7,18H2,1-4H3
InChIKeyYNIZJYWQQXTZBW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.50
Rot. Bonds4

About 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 83149949) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID83149949
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(C)cc1-c1c(C(C)C2CC2)nn(C)c1N
InChIInChI=1S/C17H23N3O/c1-10-5-8-14(21-4)13(9-10)15-16(11(2)12-6-7-12)19-20(3)17(15)18/h5,8-9,11-12H,6-7,18H2,1-4H3
InChIKeyYNIZJYWQQXTZBW-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (CID 83149949) is 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is COc1ccc(C)cc1-c1c(C(C)C2CC2)nn(C)c1N.
What is the InChIKey of 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is YNIZJYWQQXTZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-5-8-14(21-4)13(9-10)15-16(11(2)12-6-7-12)19-20(3)17(15)18/h5,8-9,11-12H,6-7,18H2,1-4H3.
What are the key properties of 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 285.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 83149949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).