N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C19H19N3O2 — CID 5015296

IUPACN-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-12-18(22(21-14)16-6-4-3-5-7-16)19(23)20-13-15-8-10-17(24-2)11-9-15/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyNRUBEDCKXKUNJH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 5015296) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID5015296
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-12-18(22(21-14)16-6-4-3-5-7-16)19(23)20-13-15-8-10-17(24-2)11-9-15/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyNRUBEDCKXKUNJH-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Apixaban
CID 10182969
Tolfenpyrad
CID 10110536
1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]phenyl}phenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10116752
6-{4-[2-(aminomethyl)phenyl]phenyl}-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10139899
1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318549
1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23635500
6-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648151
6-(1-{2-[(diethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648155
1-(4-methoxyphenyl)-6-(1-{2-[(N-methylacetamido)methyl]phenyl}piperidin-4-yl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318550
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
Pyrazole scaffold, 1b
CID 25218466
5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)acetyl)-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 10275412

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 5015296) is N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(C)nn2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is NRUBEDCKXKUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-12-18(22(21-14)16-6-4-3-5-7-16)19(23)20-13-15-8-10-17(24-2)11-9-15/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5015296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).