N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride

C16H21Cl2N3O — CID 70467726

IUPACN-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride
SMILESCCc1ccc(Cl)c(CC)c1N(Cn1cccn1)C(C)=O.Cl
InChIInChI=1S/C16H20ClN3O.ClH/c1-4-13-7-8-15(17)14(5-2)16(13)20(12(3)21)11-19-10-6-9-18-19;/h6-10H,4-5,11H2,1-3H3;1H
InChIKeyFIBMGXXXHZFUHC-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.09
Rot. Bonds5

About N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride

N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride (PubChem CID 70467726) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride
PubChem CID70467726
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride
SMILESCCc1ccc(Cl)c(CC)c1N(Cn1cccn1)C(C)=O.Cl
InChIInChI=1S/C16H20ClN3O.ClH/c1-4-13-7-8-15(17)14(5-2)16(13)20(12(3)21)11-19-10-6-9-18-19;/h6-10H,4-5,11H2,1-3H3;1H
InChIKeyFIBMGXXXHZFUHC-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride (CID 70467726) is N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride is CCc1ccc(Cl)c(CC)c1N(Cn1cccn1)C(C)=O.Cl.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride?
The InChIKey is FIBMGXXXHZFUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O.ClH/c1-4-13-7-8-15(17)14(5-2)16(13)20(12(3)21)11-19-10-6-9-18-19;/h6-10H,4-5,11H2,1-3H3;1H.
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride?
N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride has a molecular weight of 342.27 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 70467726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).