methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate

C24H20N4O3 — CID 2381703

IUPACmethyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C24H20N4O3/c1-31-24(30)18-11-9-17(10-12-18)14-26-23(29)21-16-28(20-7-3-2-4-8-20)27-22(21)19-6-5-13-25-15-19/h2-13,15-16H,14H2,1H3,(H,26,29)
InChIKeyQAIVLEFMHWVHSD-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.65
Rot. Bonds6

About methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate

methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate (PubChem CID 2381703) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
PubChem CID2381703
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Namemethyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C24H20N4O3/c1-31-24(30)18-11-9-17(10-12-18)14-26-23(29)21-16-28(20-7-3-2-4-8-20)27-22(21)19-6-5-13-25-15-19/h2-13,15-16H,14H2,1H3,(H,26,29)
InChIKeyQAIVLEFMHWVHSD-UHFFFAOYSA-N
XLogP3.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate with MolForge

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Related Compounds

N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55637223
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17431965
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 31366325
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-[(5-chlorothiophen-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 32829207
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55933026
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate (CID 2381703) is methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1.
What is the InChIKey of methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate?
The InChIKey is QAIVLEFMHWVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-24(30)18-11-9-17(10-12-18)14-26-23(29)21-16-28(20-7-3-2-4-8-20)27-22(21)19-6-5-13-25-15-19/h2-13,15-16H,14H2,1H3,(H,26,29).
What are the key properties of methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate?
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate has a molecular weight of 412.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 2381703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).