N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide

C17H15N3O4 — CID 175323556

IUPACN-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide
SMILESCOc1ccc(-n2nc(-c3ccc(O)cc3O)cc2NC=O)cc1
InChIInChI=1S/C17H15N3O4/c1-24-13-5-2-11(3-6-13)20-17(18-10-21)9-15(19-20)14-7-4-12(22)8-16(14)23/h2-10,22-23H,1H3,(H,18,21)
InChIKeyARXSMDXOIQXPPH-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.53
Rot. Bonds5

About N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide

N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide (PubChem CID 175323556) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide.

Molecular Properties

Compound NameN-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide
PubChem CID175323556
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide
SMILESCOc1ccc(-n2nc(-c3ccc(O)cc3O)cc2NC=O)cc1
InChIInChI=1S/C17H15N3O4/c1-24-13-5-2-11(3-6-13)20-17(18-10-21)9-15(19-20)14-7-4-12(22)8-16(14)23/h2-10,22-23H,1H3,(H,18,21)
InChIKeyARXSMDXOIQXPPH-UHFFFAOYSA-N
XLogP2.53
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 174927871
5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
CID 135966284
methyl 5-[4-(2,4-dihydroxyphenyl)phenyl]-1-(4-methoxyphenyl)pyrrole-3-carboxylate
CID 91321739
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194
[3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3612968
3-formyl-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 18177264
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
CID 19886103
4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
CID 82421317
4-[4-(4-methoxyphenyl)-5-methylidene-1H-1,2,4-triazol-3-yl]benzene-1,3-diol
CID 143589119
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
methyl 1-(4-methoxyphenyl)-3-methylsulfanylpyrazole-5-carboxylate
CID 18177273
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide?
The IUPAC name of N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide (CID 175323556) is N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide.
What is the SMILES notation for N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide?
The canonical SMILES for N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide is COc1ccc(-n2nc(-c3ccc(O)cc3O)cc2NC=O)cc1.
What is the InChIKey of N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide?
The InChIKey is ARXSMDXOIQXPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-13-5-2-11(3-6-13)20-17(18-10-21)9-15(19-20)14-7-4-12(22)8-16(14)23/h2-10,22-23H,1H3,(H,18,21).
What are the key properties of N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide?
N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide has a molecular weight of 325.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]formamide is sourced from PubChem (CID 175323556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).