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

C18H19N3OS — CID 51266547

IUPACN-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C18H19N3OS/c1-13-4-6-15(7-5-13)16-8-9-23-17(16)18(22)20(2)11-14-10-19-21(3)12-14/h4-10,12H,11H2,1-3H3
InChIKeyVTECKIORKANTRQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.73
Rot. Bonds4

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

N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 51266547) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID51266547
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C18H19N3OS/c1-13-4-6-15(7-5-13)16-8-9-23-17(16)18(22)20(2)11-14-10-19-21(3)12-14/h4-10,12H,11H2,1-3H3
InChIKeyVTECKIORKANTRQ-UHFFFAOYSA-N
XLogP3.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
CID 134052678
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62789282
N-methyl-2-(4-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 17376901
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 31844671
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 62035251
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36821843
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146
N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31848326
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089134

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 51266547) is N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)N(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is VTECKIORKANTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-4-6-15(7-5-13)16-8-9-23-17(16)18(22)20(2)11-14-10-19-21(3)12-14/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 51266547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).