N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide

C17H17N3OS — CID 31848945

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-19(11-13-10-18-20(2)12-13)17(21)16-15(8-9-22-16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyGKVBPLCDJQYJDF-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.42
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide (PubChem CID 31848945) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide
PubChem CID31848945
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-19(11-13-10-18-20(2)12-13)17(21)16-15(8-9-22-16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyGKVBPLCDJQYJDF-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide (CID 31848945) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is GKVBPLCDJQYJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-19(11-13-10-18-20(2)12-13)17(21)16-15(8-9-22-16)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 31848945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).