N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide

C16H20ClN3O — CID 60594734

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-16(2,3)13-10-14(20(4)19-13)18-15(21)9-11-7-5-6-8-12(11)17/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeySPMTWYMGYIBFLG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.55
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide (PubChem CID 60594734) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
PubChem CID60594734
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-16(2,3)13-10-14(20(4)19-13)18-15(21)9-11-7-5-6-8-12(11)17/h5-8,10H,9H2,1-4H3,(H,18,21)
InChIKeySPMTWYMGYIBFLG-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47057295
(2R)-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-propan-2-ylacetamide
CID 1060774
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 46984542
2-[benzyl(2-hydroxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 111461877
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 2811926
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[1-(2,6-dichlorophenyl)-6-oxopiperidin-3-yl]propanamide
CID 23022285
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42740698
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 55540614
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535389
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 67091339

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide (CID 60594734) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide is Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccccc1Cl.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide?
The InChIKey is SPMTWYMGYIBFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-16(2,3)13-10-14(20(4)19-13)18-15(21)9-11-7-5-6-8-12(11)17/h5-8,10H,9H2,1-4H3,(H,18,21).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide has a molecular weight of 305.81 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 60594734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).