1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide

C17H17N3OS — CID 18117356

IUPAC1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H17N3OS/c1-19(10-15-7-8-22-13-15)17(21)16-9-18-20(12-16)11-14-5-3-2-4-6-14/h2-9,12-13H,10-11H2,1H3
InChIKeyQUXFYYSVHPQYJB-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.27
Rot. Bonds5

About 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide

1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 18117356) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID18117356
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H17N3OS/c1-19(10-15-7-8-22-13-15)17(21)16-9-18-20(12-16)11-14-5-3-2-4-6-14/h2-9,12-13H,10-11H2,1H3
InChIKeyQUXFYYSVHPQYJB-UHFFFAOYSA-N
XLogP3.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 29221167
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289790
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide
CID 51272609
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide (CID 18117356) is 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide is CN(Cc1ccsc1)C(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is QUXFYYSVHPQYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-19(10-15-7-8-22-13-15)17(21)16-9-18-20(12-16)11-14-5-3-2-4-6-14/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18117356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).