5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide

C16H12ClN3O3 — CID 135401036

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn[nH]c1-c1cc(Cl)c(O)cc1O
InChIInChI=1S/C16H12ClN3O3/c17-12-6-10(13(21)7-14(12)22)15-11(8-18-20-15)16(23)19-9-4-2-1-3-5-9/h1-8,21-22H,(H,18,20)(H,19,23)
InChIKeyDKSYLXZOIPJWAM-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.39
Rot. Bonds3

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide

5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 135401036) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID135401036
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn[nH]c1-c1cc(Cl)c(O)cc1O
InChIInChI=1S/C16H12ClN3O3/c17-12-6-10(13(21)7-14(12)22)15-11(8-18-20-15)16(23)19-9-4-2-1-3-5-9/h1-8,21-22H,(H,18,20)(H,19,23)
InChIKeyDKSYLXZOIPJWAM-UHFFFAOYSA-N
XLogP3.39
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide (CID 135401036) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide is O=C(Nc1ccccc1)c1cn[nH]c1-c1cc(Cl)c(O)cc1O.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is DKSYLXZOIPJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-12-6-10(13(21)7-14(12)22)15-11(8-18-20-15)16(23)19-9-4-2-1-3-5-9/h1-8,21-22H,(H,18,20)(H,19,23).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 135401036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).