1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide

C18H19N3OS — CID 42282124

IUPAC1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H19N3OS/c1-13(2)19-18(22)15-12-21(11-14-7-4-3-5-8-14)20-17(15)16-9-6-10-23-16/h3-10,12-13H,11H2,1-2H3,(H,19,22)
InChIKeyZFLSPIZUAVTJMB-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.80
Rot. Bonds5

About 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide

1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 42282124) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID42282124
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H19N3OS/c1-13(2)19-18(22)15-12-21(11-14-7-4-3-5-8-14)20-17(15)16-9-6-10-23-16/h3-10,12-13H,11H2,1-2H3,(H,19,22)
InChIKeyZFLSPIZUAVTJMB-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282130
1-benzyl-N-[3-(2-methylpropoxy)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24628977
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 9360117
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 9326455
N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
CID 9033256
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7829617
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56586324
1-benzyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46592121
N-(3-acetamido-4-methylphenyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55784789
1-benzyl-N-[2-(cyclohexanecarbonylamino)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55805749

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 42282124) is 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide is CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is ZFLSPIZUAVTJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13(2)19-18(22)15-12-21(11-14-7-4-3-5-8-14)20-17(15)16-9-6-10-23-16/h3-10,12-13H,11H2,1-2H3,(H,19,22).
What are the key properties of 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide?
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42282124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).