N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide

C18H16ClN3O2 — CID 21105221

IUPACN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C18H16ClN3O2/c1-22-17(11-15(21-22)12-7-9-13(19)10-8-12)20-18(23)14-5-3-4-6-16(14)24-2/h3-11H,1-2H3,(H,20,23)
InChIKeyFERVFPLPWIAZMF-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.00
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide (PubChem CID 21105221) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
PubChem CID21105221
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C18H16ClN3O2/c1-22-17(11-15(21-22)12-7-9-13(19)10-8-12)20-18(23)14-5-3-4-6-16(14)24-2/h3-11H,1-2H3,(H,20,23)
InChIKeyFERVFPLPWIAZMF-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
2-methoxy-N-[1-methyl-3-[4-(2-methylidenebut-3-enoylamino)phenyl]pyrazol-5-yl]benzamide
CID 170412424
N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170596340
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17234016
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7797570
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170346210
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-methoxybenzamide
CID 110402522
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide (CID 21105221) is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1C.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide?
The InChIKey is FERVFPLPWIAZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-22-17(11-15(21-22)12-7-9-13(19)10-8-12)20-18(23)14-5-3-4-6-16(14)24-2/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide?
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide has a molecular weight of 341.80 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 21105221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).