3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C13H17N3OS — CID 112530043

IUPAC3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H17N3OS/c1-8-5-6-18-12(8)13(17)14-7-11-9(2)15-16(4)10(11)3/h5-6H,7H2,1-4H3,(H,14,17)
InChIKeyLHNFPHMURVSWHF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.34
Rot. Bonds3

About 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide

3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 112530043) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID112530043
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H17N3OS/c1-8-5-6-18-12(8)13(17)14-7-11-9(2)15-16(4)10(11)3/h5-6H,7H2,1-4H3,(H,14,17)
InChIKeyLHNFPHMURVSWHF-UHFFFAOYSA-N
XLogP2.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 79036382
3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 110446006
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671009
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 112530043) is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1c(C)nn(C)c1C.
What is the InChIKey of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is LHNFPHMURVSWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-5-6-18-12(8)13(17)14-7-11-9(2)15-16(4)10(11)3/h5-6H,7H2,1-4H3,(H,14,17).
What are the key properties of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 112530043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).