N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C17H16ClN3O3 — CID 112828951

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(C)o2)[nH]n1
InChIInChI=1S/C17H16ClN3O3/c1-9-6-12(16(23-3)7-11(9)18)19-17(22)14-8-13(20-21-14)15-5-4-10(2)24-15/h4-8H,1-3H3,(H,19,22)(H,20,21)
InChIKeyQHVOOKGAGNOHDT-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.20
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 112828951) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID112828951
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(C)o2)[nH]n1
InChIInChI=1S/C17H16ClN3O3/c1-9-6-12(16(23-3)7-11(9)18)19-17(22)14-8-13(20-21-14)15-5-4-10(2)24-15/h4-8H,1-3H3,(H,19,22)(H,20,21)
InChIKeyQHVOOKGAGNOHDT-UHFFFAOYSA-N
XLogP4.20
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552905
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43337149
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 112828951) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(C)o2)[nH]n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is QHVOOKGAGNOHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-9-6-12(16(23-3)7-11(9)18)19-17(22)14-8-13(20-21-14)15-5-4-10(2)24-15/h4-8H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112828951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).