N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C22H25N3O3 — CID 55638310

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)ccc1O
InChIInChI=1S/C22H25N3O3/c1-14(2)21-18(13-24-25(21)17-8-5-15(3)6-9-17)22(27)23-12-16-7-10-19(26)20(11-16)28-4/h5-11,13-14,26H,12H2,1-4H3,(H,23,27)
InChIKeyYXZJHZSABAWDEA-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.95
Rot. Bonds6

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55638310) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55638310
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)ccc1O
InChIInChI=1S/C22H25N3O3/c1-14(2)21-18(13-24-25(21)17-8-5-15(3)6-9-17)22(27)23-12-16-7-10-19(26)20(11-16)28-4/h5-11,13-14,26H,12H2,1-4H3,(H,23,27)
InChIKeyYXZJHZSABAWDEA-UHFFFAOYSA-N
XLogP3.95
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-5-[[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]methyl]benzoate
CID 55605737
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55797748
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55607922
1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55609248
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55628686
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 47865061
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 47026238
1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 33283165
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46578034
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46552744
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 110372802

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55638310) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is COc1cc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is YXZJHZSABAWDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)21-18(13-24-25(21)17-8-5-15(3)6-9-17)22(27)23-12-16-7-10-19(26)20(11-16)28-4/h5-11,13-14,26H,12H2,1-4H3,(H,23,27).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55638310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).