4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

C18H19N3O2S — CID 39834768

IUPAC4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1
InChIInChI=1S/C18H19N3O2S/c1-2-11-23-15-7-5-14(6-8-15)18(22)20-17-9-10-19-21(17)13-16-4-3-12-24-16/h3-10,12H,2,11,13H2,1H3,(H,20,22)
InChIKeyUCZNLUKURFLALL-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.03
Rot. Bonds7

About 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 39834768) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID39834768
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1
InChIInChI=1S/C18H19N3O2S/c1-2-11-23-15-7-5-14(6-8-15)18(22)20-17-9-10-19-21(17)13-16-4-3-12-24-16/h3-10,12H,2,11,13H2,1H3,(H,20,22)
InChIKeyUCZNLUKURFLALL-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
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
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911576
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
3-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-2-carboxamide
CID 17401208
N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55674829
4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 2485473
3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911494
N-(2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 38995701

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (CID 39834768) is 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is CCCOc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1.
What is the InChIKey of 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is UCZNLUKURFLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-11-23-15-7-5-14(6-8-15)18(22)20-17-9-10-19-21(17)13-16-4-3-12-24-16/h3-10,12H,2,11,13H2,1H3,(H,20,22).
What are the key properties of 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 341.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 39834768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).