N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide

C18H16ClN3O2 — CID 9269655

IUPACN-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-9-10-20-22(12)15-6-3-13(4-7-15)18(23)21-14-5-8-17(24-2)16(19)11-14/h3-11H,1-2H3,(H,21,23)
InChIKeyKBCYFRVKHIROTC-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.10
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide

N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 9269655) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID9269655
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-9-10-20-22(12)15-6-3-13(4-7-15)18(23)21-14-5-8-17(24-2)16(19)11-14/h3-11H,1-2H3,(H,21,23)
InChIKeyKBCYFRVKHIROTC-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9270943
2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 34746028
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 35932965
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide (CID 9269655) is N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide is COc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is KBCYFRVKHIROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-9-10-20-22(12)15-6-3-13(4-7-15)18(23)21-14-5-8-17(24-2)16(19)11-14/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide?
N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 341.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 9269655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).