1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

C20H21N3O2S — CID 24624909

IUPAC1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H21N3O2S/c24-20(21-12-16-8-4-10-25-16)17-14-23(13-15-6-2-1-3-7-15)22-19(17)18-9-5-11-26-18/h1-3,5-7,9,11,14,16H,4,8,10,12-13H2,(H,21,24)
InChIKeyBOXANPXLZAGRAF-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.57
Rot. Bonds6

About 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 24624909) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID24624909
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H21N3O2S/c24-20(21-12-16-8-4-10-25-16)17-14-23(13-15-6-2-1-3-7-15)22-19(17)18-9-5-11-26-18/h1-3,5-7,9,11,14,16H,4,8,10,12-13H2,(H,21,24)
InChIKeyBOXANPXLZAGRAF-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
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1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55509705
1-benzyl-N-[3-(2-methylpropoxy)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24628977
N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
CID 9033256
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 43016025
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
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1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818321
1-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 131682668
N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55784789
3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 40934889

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 24624909) is 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCC1CCCO1)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is BOXANPXLZAGRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-20(21-12-16-8-4-10-25-16)17-14-23(13-15-6-2-1-3-7-15)22-19(17)18-9-5-11-26-18/h1-3,5-7,9,11,14,16H,4,8,10,12-13H2,(H,21,24).
What are the key properties of 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 24624909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).