2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide

C13H16N4O3 — CID 61263067

IUPAC2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESCOc1ccc(CNc2cnn(CC(N)=O)c2)c(O)c1
InChIInChI=1S/C13H16N4O3/c1-20-11-3-2-9(12(18)4-11)5-15-10-6-16-17(7-10)8-13(14)19/h2-4,6-7,15,18H,5,8H2,1H3,(H2,14,19)
InChIKeyQOBBGSJUBHAZKQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.69
Rot. Bonds6

About 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 61263067) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
PubChem CID61263067
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESCOc1ccc(CNc2cnn(CC(N)=O)c2)c(O)c1
InChIInChI=1S/C13H16N4O3/c1-20-11-3-2-9(12(18)4-11)5-15-10-6-16-17(7-10)8-13(14)19/h2-4,6-7,15,18H,5,8H2,1H3,(H2,14,19)
InChIKeyQOBBGSJUBHAZKQ-UHFFFAOYSA-N
XLogP0.69
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 112606480
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 63868237
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60873892
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
CID 103824039

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide (CID 61263067) is 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide is COc1ccc(CNc2cnn(CC(N)=O)c2)c(O)c1.
What is the InChIKey of 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is QOBBGSJUBHAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-20-11-3-2-9(12(18)4-11)5-15-10-6-16-17(7-10)8-13(14)19/h2-4,6-7,15,18H,5,8H2,1H3,(H2,14,19).
What are the key properties of 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 276.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 61263067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).