5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C11H12ClN3OS — CID 31844671

IUPAC5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3OS/c1-14(6-8-5-13-15(2)7-8)11(16)9-3-4-10(12)17-9/h3-5,7H,6H2,1-2H3
InChIKeyUTVSZDZSAMQBMD-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.41
Rot. Bonds3

About 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 31844671) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID31844671
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3OS/c1-14(6-8-5-13-15(2)7-8)11(16)9-3-4-10(12)17-9/h3-5,7H,6H2,1-2H3
InChIKeyUTVSZDZSAMQBMD-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62177921

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 31844671) is 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is UTVSZDZSAMQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-14(6-8-5-13-15(2)7-8)11(16)9-3-4-10(12)17-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 269.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 31844671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).