N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide

C19H18ClN3O2 — CID 9270943

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2nccc2C)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-17(18(25-3)11-16(12)20)22-19(24)14-4-6-15(7-5-14)23-13(2)8-9-21-23/h4-11H,1-3H3,(H,22,24)
InChIKeyUZUSQIDRTOGGBO-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.40
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 9270943) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID9270943
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2nccc2C)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-17(18(25-3)11-16(12)20)22-19(24)14-4-6-15(7-5-14)23-13(2)8-9-21-23/h4-11H,1-3H3,(H,22,24)
InChIKeyUZUSQIDRTOGGBO-UHFFFAOYSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide (CID 9270943) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2nccc2C)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is UZUSQIDRTOGGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-10-17(18(25-3)11-16(12)20)22-19(24)14-4-6-15(7-5-14)23-13(2)8-9-21-23/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 355.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 9270943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).