3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C18H17N3O4 — CID 142259912

IUPAC3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2c(-c3cc(C)c(O)cc3O)n[nH]c2C(N)=O)cc1
InChIInChI=1S/C18H17N3O4/c1-9-7-12(14(23)8-13(9)22)16-15(17(18(19)24)21-20-16)10-3-5-11(25-2)6-4-10/h3-8,22-23H,1-2H3,(H2,19,24)(H,20,21)
InChIKeyFZEMFLXRGPJDPE-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.57
Rot. Bonds4

About 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 142259912) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID142259912
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2c(-c3cc(C)c(O)cc3O)n[nH]c2C(N)=O)cc1
InChIInChI=1S/C18H17N3O4/c1-9-7-12(14(23)8-13(9)22)16-15(17(18(19)24)21-20-16)10-3-5-11(25-2)6-4-10/h3-8,22-23H,1-2H3,(H2,19,24)(H,20,21)
InChIKeyFZEMFLXRGPJDPE-UHFFFAOYSA-N
XLogP2.57
TPSA121.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
CID 136602125
3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 142960204
3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 135445187
methyl 2-[[3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 142960194
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
CID 132961390
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
4-[4-(4-methoxyphenyl)-2H-pyrrol-3-yl]-6-methylbenzene-1,3-diol
CID 138526165
2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135651528
6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
CID 13443565
1-[4-amino-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-methyl-2-naphthalen-2-ylpropan-1-one
CID 70220023
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 1416432

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 142259912) is 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2c(-c3cc(C)c(O)cc3O)n[nH]c2C(N)=O)cc1.
What is the InChIKey of 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FZEMFLXRGPJDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-9-7-12(14(23)8-13(9)22)16-15(17(18(19)24)21-20-16)10-3-5-11(25-2)6-4-10/h3-8,22-23H,1-2H3,(H2,19,24)(H,20,21).
What are the key properties of 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142259912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).