2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide

C15H20N4O3 — CID 120987280

IUPAC2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
SMILESCOCC(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H20N4O3/c1-21-10-14(16)15(20)17-9-11-7-8-19(18-11)12-3-5-13(22-2)6-4-12/h3-8,14H,9-10,16H2,1-2H3,(H,17,20)
InChIKeyZKDKAEJMSAOWCJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.47
Rot. Bonds7

About 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide

2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide (PubChem CID 120987280) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
PubChem CID120987280
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
SMILESCOCC(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H20N4O3/c1-21-10-14(16)15(20)17-9-11-7-8-19(18-11)12-3-5-13(22-2)6-4-12/h3-8,14H,9-10,16H2,1-2H3,(H,17,20)
InChIKeyZKDKAEJMSAOWCJ-UHFFFAOYSA-N
XLogP0.47
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide (CID 120987280) is 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide is COCC(N)C(=O)NCc1ccn(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide?
The InChIKey is ZKDKAEJMSAOWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-21-10-14(16)15(20)17-9-11-7-8-19(18-11)12-3-5-13(22-2)6-4-12/h3-8,14H,9-10,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide?
2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide has a molecular weight of 304.35 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide is sourced from PubChem (CID 120987280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).