2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide

C14H18N4O3 — CID 62111897

IUPAC2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)Cn2ccc(N)n2)ccc1O
InChIInChI=1S/C14H18N4O3/c1-17(14(20)9-18-6-5-13(15)16-18)8-10-3-4-11(19)12(7-10)21-2/h3-7,19H,8-9H2,1-2H3,(H2,15,16)
InChIKeyLOWBSXBALZOLJM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.84
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide

2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 62111897) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID62111897
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)Cn2ccc(N)n2)ccc1O
InChIInChI=1S/C14H18N4O3/c1-17(14(20)9-18-6-5-13(15)16-18)8-10-3-4-11(19)12(7-10)21-2/h3-7,19H,8-9H2,1-2H3,(H2,15,16)
InChIKeyLOWBSXBALZOLJM-UHFFFAOYSA-N
XLogP0.84
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 62111533
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 62113912
2-(3-aminopyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693887
N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 62101394
2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 62112892
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
2-(3-aminopyrazol-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 62112067
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61115670
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide (CID 62111897) is 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide is COc1cc(CN(C)C(=O)Cn2ccc(N)n2)ccc1O.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is LOWBSXBALZOLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-17(14(20)9-18-6-5-13(15)16-18)8-10-3-4-11(19)12(7-10)21-2/h3-7,19H,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide?
2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 290.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 62111897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).