N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide

C16H21N3O2 — CID 47067672

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)c1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13-10-14(19-18-13)17-15(20)9-11-6-5-7-12(8-11)21-4/h5-8,10H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyUZDGORXEVPORIW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.90
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 47067672) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID47067672
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)c1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13-10-14(19-18-13)17-15(20)9-11-6-5-7-12(8-11)21-4/h5-8,10H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyUZDGORXEVPORIW-UHFFFAOYSA-N
XLogP2.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 115603580
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 42874156
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619985
3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 115589940
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55976309
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196168
N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196096
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 39951309

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide (CID 47067672) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)c1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is UZDGORXEVPORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)13-10-14(19-18-13)17-15(20)9-11-6-5-7-12(8-11)21-4/h5-8,10H,9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 47067672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).