1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide

C20H20FN3O3 — CID 71850172

IUPAC1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cnn(-c3ccccc3F)c2C)ccc1O
InChIInChI=1S/C20H20FN3O3/c1-13-15(11-22-24(13)17-7-5-4-6-16(17)21)20(26)23(2)12-14-8-9-18(25)19(10-14)27-3/h4-11,25H,12H2,1-3H3
InChIKeyKQUQIOTYRVOWDY-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.31
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 71850172) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
PubChem CID71850172
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cnn(-c3ccccc3F)c2C)ccc1O
InChIInChI=1S/C20H20FN3O3/c1-13-15(11-22-24(13)17-7-5-4-6-16(17)21)20(26)23(2)12-14-8-9-18(25)19(10-14)27-3/h4-11,25H,12H2,1-3H3
InChIKeyKQUQIOTYRVOWDY-UHFFFAOYSA-N
XLogP3.31
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 134047410
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 55521884
N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
[1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxylate
CID 166336008
N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 55521664
N-[(4-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813931
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 109399843
N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521016
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189252
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide (CID 71850172) is 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide is COc1cc(CN(C)C(=O)c2cnn(-c3ccccc3F)c2C)ccc1O.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is KQUQIOTYRVOWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13-15(11-22-24(13)17-7-5-4-6-16(17)21)20(26)23(2)12-14-8-9-18(25)19(10-14)27-3/h4-11,25H,12H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 71850172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).