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

C18H15BrN4O2 — CID 142965920

IUPAC4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide
SMILESC=C(Nc1n[nH]c(C(=O)Nc2ccccc2)c1Br)c1ccccc1O
InChIInChI=1S/C18H15BrN4O2/c1-11(13-9-5-6-10-14(13)24)20-17-15(19)16(22-23-17)18(25)21-12-7-3-2-4-8-12/h2-10,24H,1H2,(H,21,25)(H2,20,22,23)
InChIKeyGWIUGPQZWVPMAO-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.21
Rot. Bonds5

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

4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 142965920) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID142965920
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide
SMILESC=C(Nc1n[nH]c(C(=O)Nc2ccccc2)c1Br)c1ccccc1O
InChIInChI=1S/C18H15BrN4O2/c1-11(13-9-5-6-10-14(13)24)20-17-15(19)16(22-23-17)18(25)21-12-7-3-2-4-8-12/h2-10,24H,1H2,(H,21,25)(H2,20,22,23)
InChIKeyGWIUGPQZWVPMAO-UHFFFAOYSA-N
XLogP4.21
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide (CID 142965920) is 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide is C=C(Nc1n[nH]c(C(=O)Nc2ccccc2)c1Br)c1ccccc1O.
What is the InChIKey of 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is GWIUGPQZWVPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-11(13-9-5-6-10-14(13)24)20-17-15(19)16(22-23-17)18(25)21-12-7-3-2-4-8-12/h2-10,24H,1H2,(H,21,25)(H2,20,22,23).
What are the key properties of 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide?
4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 399.25 g/mol, XLogP of 4.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[1-(2-hydroxyphenyl)ethenylamino]-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142965920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).