(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C15H19N3O3 — CID 107469171

IUPAC(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cccc(C(=O)c2c(OC)cnn2C(C)C)c1N
InChIInChI=1S/C15H19N3O3/c1-9(2)18-14(12(21-4)8-17-18)15(19)10-6-5-7-11(20-3)13(10)16/h5-9H,16H2,1-4H3
InChIKeyGYRDFZAYNARGEF-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.29
Rot. Bonds5

About (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 107469171) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID107469171
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cccc(C(=O)c2c(OC)cnn2C(C)C)c1N
InChIInChI=1S/C15H19N3O3/c1-9(2)18-14(12(21-4)8-17-18)15(19)10-6-5-7-11(20-3)13(10)16/h5-9H,16H2,1-4H3
InChIKeyGYRDFZAYNARGEF-UHFFFAOYSA-N
XLogP2.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810444
(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810541
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanone
CID 115810480
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640325
(2,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639995
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640056
2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-phenylethanone
CID 114642875
3-(3-aminophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114670810
3,3,3-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311596
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
CID 114642235

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 107469171) is (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is COc1cccc(C(=O)c2c(OC)cnn2C(C)C)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is GYRDFZAYNARGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)18-14(12(21-4)8-17-18)15(19)10-6-5-7-11(20-3)13(10)16/h5-9H,16H2,1-4H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 289.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 107469171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).