N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H18ClN3O — CID 23654746

IUPACN-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1cccc(Cl)c1CNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C15H18ClN3O/c1-9-5-4-6-14(16)13(9)8-17-15(20)7-12-10(2)18-19-11(12)3/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyYGEVUGANRAVMCQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.85
Rot. Bonds4

About N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 23654746) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID23654746
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1cccc(Cl)c1CNC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C15H18ClN3O/c1-9-5-4-6-14(16)13(9)8-17-15(20)7-12-10(2)18-19-11(12)3/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyYGEVUGANRAVMCQ-UHFFFAOYSA-N
XLogP2.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 23654746) is N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1cccc(Cl)c1CNC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is YGEVUGANRAVMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-5-4-6-14(16)13(9)8-17-15(20)7-12-10(2)18-19-11(12)3/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 291.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 23654746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).