4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide

C19H17BrN4O3 — CID 142965915

IUPAC4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1[nH]nc(NC(=O)Cc2ccccc2O)c1Br)c1ccccc1
InChIInChI=1S/C19H17BrN4O3/c1-24(13-8-3-2-4-9-13)19(27)17-16(20)18(23-22-17)21-15(26)11-12-7-5-6-10-14(12)25/h2-10,25H,11H2,1H3,(H2,21,22,23,26)
InChIKeyYRRBQZYTJNKTEI-UHFFFAOYSA-N
MW429.27 g/mol
LogP3.34
Rot. Bonds5

About 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide

4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 142965915) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID142965915
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1[nH]nc(NC(=O)Cc2ccccc2O)c1Br)c1ccccc1
InChIInChI=1S/C19H17BrN4O3/c1-24(13-8-3-2-4-9-13)19(27)17-16(20)18(23-22-17)21-15(26)11-12-7-5-6-10-14(12)25/h2-10,25H,11H2,1H3,(H2,21,22,23,26)
InChIKeyYRRBQZYTJNKTEI-UHFFFAOYSA-N
XLogP3.34
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide (CID 142965915) is 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide is CN(C(=O)c1[nH]nc(NC(=O)Cc2ccccc2O)c1Br)c1ccccc1.
What is the InChIKey of 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YRRBQZYTJNKTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-24(13-8-3-2-4-9-13)19(27)17-16(20)18(23-22-17)21-15(26)11-12-7-5-6-10-14(12)25/h2-10,25H,11H2,1H3,(H2,21,22,23,26).
What are the key properties of 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide?
4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[2-(2-hydroxyphenyl)acetyl]amino]-N-methyl-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142965915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).