N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide

C21H23N3O2 — CID 42686943

IUPACN-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
SMILESCCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-3-8-18-21(22-19(25)13-15-9-5-4-6-10-15)20(24-23-18)16-11-7-12-17(14-16)26-2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQJHGTUYAGDEWRX-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.22
Rot. Bonds7

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

N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide (PubChem CID 42686943) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
PubChem CID42686943
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
SMILESCCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-3-8-18-21(22-19(25)13-15-9-5-4-6-10-15)20(24-23-18)16-11-7-12-17(14-16)26-2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQJHGTUYAGDEWRX-UHFFFAOYSA-N
XLogP4.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 42686897
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide
CID 42687233
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 42685691
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686082
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686085
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 83280532
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide (CID 42686943) is N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide is CCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide?
The InChIKey is QJHGTUYAGDEWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-8-18-21(22-19(25)13-15-9-5-4-6-10-15)20(24-23-18)16-11-7-12-17(14-16)26-2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide?
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide has a molecular weight of 349.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide is sourced from PubChem (CID 42686943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).