N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

C24H22N4O2 — CID 38533366

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-17-10-12-20(13-11-17)28-16-21(22(27-28)18-7-4-3-5-8-18)23(29)26-15-19-9-6-14-25-24(19)30-2/h3-14,16H,15H2,1-2H3,(H,26,29)
InChIKeyUFAKLYYDTKKCQP-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.18
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 38533366) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
PubChem CID38533366
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-17-10-12-20(13-11-17)28-16-21(22(27-28)18-7-4-3-5-8-18)23(29)26-15-19-9-6-14-25-24(19)30-2/h3-14,16H,15H2,1-2H3,(H,26,29)
InChIKeyUFAKLYYDTKKCQP-UHFFFAOYSA-N
XLogP4.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 37489976
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55522864
N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60515331
1-(4-methylphenyl)-3-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 46917444
1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 33116947
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281272
3-(4-methoxyphenyl)-1-phenyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 55647189
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (CID 38533366) is N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is COc1ncccc1CNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is UFAKLYYDTKKCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-10-12-20(13-11-17)28-16-21(22(27-28)18-7-4-3-5-8-18)23(29)26-15-19-9-6-14-25-24(19)30-2/h3-14,16H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 38533366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).