N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide

C19H21N3O2S — CID 55674829

IUPACN-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
SMILESCCCCn1nccc1NC(=O)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C19H21N3O2S/c1-2-3-11-22-18(9-10-20-22)21-19(23)15-6-4-7-16(13-15)24-14-17-8-5-12-25-17/h4-10,12-13H,2-3,11,14H2,1H3,(H,21,23)
InChIKeyNWYNETUTSBCABR-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.58
Rot. Bonds8

About N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide

N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 55674829) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID55674829
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
SMILESCCCCn1nccc1NC(=O)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C19H21N3O2S/c1-2-3-11-22-18(9-10-20-22)21-19(23)15-6-4-7-16(13-15)24-14-17-8-5-12-25-17/h4-10,12-13H,2-3,11,14H2,1H3,(H,21,23)
InChIKeyNWYNETUTSBCABR-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55670767
N-(2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 38995701
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55782491
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 56581143
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55804256
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55956042
N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 120651028
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 16571949
3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55723349

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide (CID 55674829) is N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide is CCCCn1nccc1NC(=O)c1cccc(OCc2cccs2)c1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is NWYNETUTSBCABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-3-11-22-18(9-10-20-22)21-19(23)15-6-4-7-16(13-15)24-14-17-8-5-12-25-17/h4-10,12-13H,2-3,11,14H2,1H3,(H,21,23).
What are the key properties of N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide?
N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 355.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 55674829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).