3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide

C18H19N3O2S — CID 8911494

IUPAC3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccnn2Cc2cccs2)cc1
InChIInChI=1S/C18H19N3O2S/c1-23-15-7-4-14(5-8-15)6-9-18(22)20-17-10-11-19-21(17)13-16-3-2-12-24-16/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,20,22)
InChIKeyIZHCCNTVKVHMBV-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.57
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide

3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 8911494) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID8911494
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccnn2Cc2cccs2)cc1
InChIInChI=1S/C18H19N3O2S/c1-23-15-7-4-14(5-8-15)6-9-18(22)20-17-10-11-19-21(17)13-16-3-2-12-24-16/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,20,22)
InChIKeyIZHCCNTVKVHMBV-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
3-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-2-carboxamide
CID 17401208
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 9118752
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 86906675
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911831

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide (CID 8911494) is 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide is COc1ccc(CCC(=O)Nc2ccnn2Cc2cccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is IZHCCNTVKVHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-23-15-7-4-14(5-8-15)6-9-18(22)20-17-10-11-19-21(17)13-16-3-2-12-24-16/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,20,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 8911494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).