N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

C20H21N3O2 — CID 118725456

IUPACN-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(O)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-7-19-17(13-21-23(19)15-8-5-4-6-9-15)20(25)22-18-12-16(24)11-10-14(18)2/h4-6,8-13,24H,3,7H2,1-2H3,(H,22,25)
InChIKeyMBRDRSSDUHLWOL-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.09
Rot. Bonds5

About N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 118725456) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID118725456
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(O)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-7-19-17(13-21-23(19)15-8-5-4-6-9-15)20(25)22-18-12-16(24)11-10-14(18)2/h4-6,8-13,24H,3,7H2,1-2H3,(H,22,25)
InChIKeyMBRDRSSDUHLWOL-UHFFFAOYSA-N
XLogP4.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)-2-methylpropanamido)benzoicacid
CID 11516424
2-(3-hydroxy-4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226376
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoicacid
CID 46890163
2-(3-(1-(4-hydroxyphenyl)-1H-pyrazol-4-yl)propanamido)benzoicacid
CID 46890165
4-hydroxy-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 135971442
N-(2-hydroxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25595919
1-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 33956487
1-(3-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327136
(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127051687

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 118725456) is N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(O)ccc2C)cnn1-c1ccccc1.
What is the InChIKey of N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is MBRDRSSDUHLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-7-19-17(13-21-23(19)15-8-5-4-6-9-15)20(25)22-18-12-16(24)11-10-14(18)2/h4-6,8-13,24H,3,7H2,1-2H3,(H,22,25).
What are the key properties of N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 118725456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).