2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide

C17H19ClN6O — CID 46991784

IUPAC2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide
SMILESCc1cn(CC(=O)Nc2cnn(C(C)C)n2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN6O/c1-11(2)24-19-8-15(21-24)20-16(25)10-23-9-12(3)17(22-23)13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3,(H,20,21,25)
InChIKeyGKIFBCVPQIWWIU-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.32
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide

2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide (PubChem CID 46991784) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide
PubChem CID46991784
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide
SMILESCc1cn(CC(=O)Nc2cnn(C(C)C)n2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN6O/c1-11(2)24-19-8-15(21-24)20-16(25)10-23-9-12(3)17(22-23)13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3,(H,20,21,25)
InChIKeyGKIFBCVPQIWWIU-UHFFFAOYSA-N
XLogP3.32
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide
CID 46997037
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19518288
N-(2-ethyltriazol-4-yl)-2-[3-(3-methylpyrazin-2-yl)pyrazol-1-yl]acetamide
CID 46989829
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide
CID 46998017
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500472
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465
N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide
CID 46982211
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide
CID 166474091
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide (CID 46991784) is 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide is Cc1cn(CC(=O)Nc2cnn(C(C)C)n2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide?
The InChIKey is GKIFBCVPQIWWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-11(2)24-19-8-15(21-24)20-16(25)10-23-9-12(3)17(22-23)13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3,(H,20,21,25).
What are the key properties of 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide?
2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4-methylpyrazol-1-yl]-N-(2-propan-2-yltriazol-4-yl)acetamide is sourced from PubChem (CID 46991784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).