N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide

C12H13ClN4O2 — CID 117450727

IUPACN-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1-c1cnn(C)c1N
InChIInChI=1S/C12H13ClN4O2/c1-6(18)16-11-9(19)4-3-8(13)10(11)7-5-15-17(2)12(7)14/h3-5,19H,14H2,1-2H3,(H,16,18)
InChIKeyAIDRWWZUHCFZFC-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.99
Rot. Bonds2

About N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide

N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide (PubChem CID 117450727) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
PubChem CID117450727
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC NameN-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1-c1cnn(C)c1N
InChIInChI=1S/C12H13ClN4O2/c1-6(18)16-11-9(19)4-3-8(13)10(11)7-5-15-17(2)12(7)14/h3-5,19H,14H2,1-2H3,(H,16,18)
InChIKeyAIDRWWZUHCFZFC-UHFFFAOYSA-N
XLogP1.99
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide (CID 117450727) is N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide is CC(=O)Nc1c(O)ccc(Cl)c1-c1cnn(C)c1N.
What is the InChIKey of N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide?
The InChIKey is AIDRWWZUHCFZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-6(18)16-11-9(19)4-3-8(13)10(11)7-5-15-17(2)12(7)14/h3-5,19H,14H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide?
N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide has a molecular weight of 280.72 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide is sourced from PubChem (CID 117450727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).