N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide

C16H18ClN3O2 — CID 59788580

IUPACN-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide
SMILESCn1ccc(C(=O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)n1
InChIInChI=1S/C16H18ClN3O2/c1-16(2,3)15(22)18-12-6-5-10(17)9-11(12)14(21)13-7-8-20(4)19-13/h5-9H,1-4H3,(H,18,22)
InChIKeyHZJZSWPIWMDERW-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.29
Rot. Bonds3

About N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide

N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 59788580) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide
PubChem CID59788580
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide
SMILESCn1ccc(C(=O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)n1
InChIInChI=1S/C16H18ClN3O2/c1-16(2,3)15(22)18-12-6-5-10(17)9-11(12)14(21)13-7-8-20(4)19-13/h5-9H,1-4H3,(H,18,22)
InChIKeyHZJZSWPIWMDERW-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
CID 62832150
N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide
CID 165344311
3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide
CID 51096653
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 135058493
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide (CID 59788580) is N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide is Cn1ccc(C(=O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)n1.
What is the InChIKey of N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is HZJZSWPIWMDERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-16(2,3)15(22)18-12-6-5-10(17)9-11(12)14(21)13-7-8-20(4)19-13/h5-9H,1-4H3,(H,18,22).
What are the key properties of N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide?
N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 319.79 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(1-methylpyrazole-3-carbonyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59788580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).