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

C15H19ClN4O — CID 61117510

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccccc2Cl)c(C)c1N
InChIInChI=1S/C15H19ClN4O/c1-9(12-6-4-5-7-13(12)16)18-14(21)8-20-11(3)15(17)10(2)19-20/h4-7,9H,8,17H2,1-3H3,(H,18,21)
InChIKeyQLZZQQCYSBUDOC-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.61
Rot. Bonds4

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

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide (PubChem CID 61117510) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide
PubChem CID61117510
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccccc2Cl)c(C)c1N
InChIInChI=1S/C15H19ClN4O/c1-9(12-6-4-5-7-13(12)16)18-14(21)8-20-11(3)15(17)10(2)19-20/h4-7,9H,8,17H2,1-3H3,(H,18,21)
InChIKeyQLZZQQCYSBUDOC-UHFFFAOYSA-N
XLogP2.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281020
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 113472630
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 43445438

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide (CID 61117510) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide is Cc1nn(CC(=O)NC(C)c2ccccc2Cl)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is QLZZQQCYSBUDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9(12-6-4-5-7-13(12)16)18-14(21)8-20-11(3)15(17)10(2)19-20/h4-7,9H,8,17H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 306.80 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 61117510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).