2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide

C14H17ClN4O — CID 43647452

IUPAC2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1CN
InChIInChI=1S/C14H17ClN4O/c1-9-13(7-16)10(2)19(18-9)8-14(20)17-12-5-3-4-11(15)6-12/h3-6H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyMMTLWUKWNIMDLF-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide

2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 43647452) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
PubChem CID43647452
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1CN
InChIInChI=1S/C14H17ClN4O/c1-9-13(7-16)10(2)19(18-9)8-14(20)17-12-5-3-4-11(15)6-12/h3-6H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyMMTLWUKWNIMDLF-UHFFFAOYSA-N
XLogP2.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
[2-(3-chloroanilino)-2-oxoethyl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 27935310
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 105359769
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 19525702
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-1-yl]acetamide
CID 9421628
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
CID 43647498
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide (CID 43647452) is 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide is Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(C)c1CN.
What is the InChIKey of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is MMTLWUKWNIMDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-13(7-16)10(2)19(18-9)8-14(20)17-12-5-3-4-11(15)6-12/h3-6H,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide?
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 43647452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).