2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline

C14H19N3O — CID 66020833

IUPAC2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
SMILESCOc1ccc(-c2cn(C(C)C)nc2C)cc1N
InChIInChI=1S/C14H19N3O/c1-9(2)17-8-12(10(3)16-17)11-5-6-14(18-4)13(15)7-11/h5-9H,15H2,1-4H3
InChIKeyRQULHUJTVNFRRL-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.03
Rot. Bonds3

About 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline

2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline (PubChem CID 66020833) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
PubChem CID66020833
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
SMILESCOc1ccc(-c2cn(C(C)C)nc2C)cc1N
InChIInChI=1S/C14H19N3O/c1-9(2)17-8-12(10(3)16-17)11-5-6-14(18-4)13(15)7-11/h5-9H,15H2,1-4H3
InChIKeyRQULHUJTVNFRRL-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline?
The IUPAC name of 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline (CID 66020833) is 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline?
The canonical SMILES for 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline is COc1ccc(-c2cn(C(C)C)nc2C)cc1N.
What is the InChIKey of 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline?
The InChIKey is RQULHUJTVNFRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)17-8-12(10(3)16-17)11-5-6-14(18-4)13(15)7-11/h5-9H,15H2,1-4H3.
What are the key properties of 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline?
2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline is sourced from PubChem (CID 66020833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).