methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate

C19H18ClN3O4 — CID 164617788

IUPACmethyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1
InChIInChI=1S/C19H18ClN3O4/c1-11-8-12(2)23(22-11)10-14-5-7-17(27-14)18(24)21-16-6-4-13(20)9-15(16)19(25)26-3/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyVZLQCUSLDCSBOQ-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.83
Rot. Bonds5

About methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate

methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate (PubChem CID 164617788) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
PubChem CID164617788
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Namemethyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1
InChIInChI=1S/C19H18ClN3O4/c1-11-8-12(2)23(22-11)10-14-5-7-17(27-14)18(24)21-16-6-4-13(20)9-15(16)19(25)26-3/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyVZLQCUSLDCSBOQ-UHFFFAOYSA-N
XLogP3.83
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
methyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
CID 3153926
3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid
CID 4695206
2-[1-[[4-(1-Benzofuran-2-carbonylamino)-2-chlorophenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 59054506
2-[1-[[4-[(5-Chloro-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766348
2-[1-[[4-[(5-Chloro-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 86766353
2-[1-[[4-[(6-Chloro-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766365
2-[1-[[4-[(5-Chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-fluorophenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766373
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 2477465
2-((Furan-2-ylmethyl)amino)-2-oxoethyl 5-chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2571609
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 20876954

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate (CID 164617788) is methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1.
What is the InChIKey of methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate?
The InChIKey is VZLQCUSLDCSBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-11-8-12(2)23(22-11)10-14-5-7-17(27-14)18(24)21-16-6-4-13(20)9-15(16)19(25)26-3/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate?
methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate has a molecular weight of 387.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 164617788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).