N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide

C20H23N3O3S — CID 42685691

IUPACN-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)Cc1cccs1
InChIInChI=1S/C20H23N3O3S/c1-4-6-15-20(21-18(24)12-14-7-5-10-27-14)19(23-22-15)13-8-9-16(25-2)17(11-13)26-3/h5,7-11H,4,6,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVHYPBOZTIWIYMH-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.29
Rot. Bonds8

About N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide

N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 42685691) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID42685691
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)Cc1cccs1
InChIInChI=1S/C20H23N3O3S/c1-4-6-15-20(21-18(24)12-14-7-5-10-27-14)19(23-22-15)13-8-9-16(25-2)17(11-13)26-3/h5,7-11H,4,6,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVHYPBOZTIWIYMH-UHFFFAOYSA-N
XLogP4.29
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 42685691) is N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is CCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)Cc1cccs1.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is VHYPBOZTIWIYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-6-15-20(21-18(24)12-14-7-5-10-27-14)19(23-22-15)13-8-9-16(25-2)17(11-13)26-3/h5,7-11H,4,6,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 385.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42685691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).