N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide

C16H21N3O2 — CID 42687575

IUPACN-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2n[nH]c(C)c2NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-10-13(17-15(20)16(2,3)4)14(19-18-10)11-6-8-12(21-5)9-7-11/h6-9H,1-5H3,(H,17,20)(H,18,19)
InChIKeyHOAZXXJHPDUHFG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.38
Rot. Bonds3

About N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide

N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 42687575) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
PubChem CID42687575
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2n[nH]c(C)c2NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-10-13(17-15(20)16(2,3)4)14(19-18-10)11-6-8-12(21-5)9-7-11/h6-9H,1-5H3,(H,17,20)(H,18,19)
InChIKeyHOAZXXJHPDUHFG-UHFFFAOYSA-N
XLogP3.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 2764201
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 154693152
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17523502
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42685604
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686893
N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686906
N-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-phenoxyacetamide
CID 46168278
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 71701198
2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 71702937

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide (CID 42687575) is N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide is COc1ccc(-c2n[nH]c(C)c2NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is HOAZXXJHPDUHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-13(17-15(20)16(2,3)4)14(19-18-10)11-6-8-12(21-5)9-7-11/h6-9H,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42687575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).