N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide

C16H21N3O2 — CID 42686746

IUPACN-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c(CC(C)C)c2NC(C)=O)cc1
InChIInChI=1S/C16H21N3O2/c1-10(2)9-14-16(17-11(3)20)15(19-18-14)12-5-7-13(21-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyQQZBZGBTQNUSHI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide

N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 42686746) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
PubChem CID42686746
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c(CC(C)C)c2NC(C)=O)cc1
InChIInChI=1S/C16H21N3O2/c1-10(2)9-14-16(17-11(3)20)15(19-18-14)12-5-7-13(21-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyQQZBZGBTQNUSHI-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide (CID 42686746) is N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide is COc1ccc(-c2n[nH]c(CC(C)C)c2NC(C)=O)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is QQZBZGBTQNUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)9-14-16(17-11(3)20)15(19-18-14)12-5-7-13(21-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide?
N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.24, 5 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-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42686746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).