methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate

C20H18ClN3O3 — CID 46601601

IUPACmethyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C20H18ClN3O3/c1-13-17(18(21)24(23-13)16-6-4-3-5-7-16)19(25)22-12-14-8-10-15(11-9-14)20(26)27-2/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyRQBNFHRDGHKYGL-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.55
Rot. Bonds5

About methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate

methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate (PubChem CID 46601601) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
PubChem CID46601601
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Namemethyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C20H18ClN3O3/c1-13-17(18(21)24(23-13)16-6-4-3-5-7-16)19(25)22-12-14-8-10-15(11-9-14)20(26)27-2/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyRQBNFHRDGHKYGL-UHFFFAOYSA-N
XLogP3.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate with MolForge

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Related Compounds

5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 41497826
5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 155964290
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504
(3-methoxycarbonylphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576440
N-[(4-carbamimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 155484117
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 51150469
methyl 4-[2-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 46514721
5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27812683
5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 41413162
methyl 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]pyridine-3-carboxylate
CID 134039468

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate (CID 46601601) is methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1.
What is the InChIKey of methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate?
The InChIKey is RQBNFHRDGHKYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-13-17(18(21)24(23-13)16-6-4-3-5-7-16)19(25)22-12-14-8-10-15(11-9-14)20(26)27-2/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate?
methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate has a molecular weight of 383.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 46601601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).