1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C17H25N3O — CID 112730009

IUPAC1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1cccc(OC(C)C)c1
InChIInChI=1S/C17H25N3O/c1-12(2)21-16-8-6-7-15(9-16)10-18-11-17-13(3)19-20(5)14(17)4/h6-9,12,18H,10-11H2,1-5H3
InChIKeyJXFCCAMKRHZFNN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.11
Rot. Bonds6

About 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 112730009) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID112730009
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1cccc(OC(C)C)c1
InChIInChI=1S/C17H25N3O/c1-12(2)21-16-8-6-7-15(9-16)10-18-11-17-13(3)19-20(5)14(17)4/h6-9,12,18H,10-11H2,1-5H3
InChIKeyJXFCCAMKRHZFNN-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 112730009) is 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNCc1cccc(OC(C)C)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is JXFCCAMKRHZFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)21-16-8-6-7-15(9-16)10-18-11-17-13(3)19-20(5)14(17)4/h6-9,12,18H,10-11H2,1-5H3.
What are the key properties of 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 112730009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).