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

C13H17N3O2S — CID 110446006

IUPAC3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H17N3O2S/c1-8-10(9(2)16(3)15-8)7-14-13(17)12-11(18-4)5-6-19-12/h5-6H,7H2,1-4H3,(H,14,17)
InChIKeyZMXAQCXKPXWZHU-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.04
Rot. Bonds4

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

3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 110446006) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID110446006
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H17N3O2S/c1-8-10(9(2)16(3)15-8)7-14-13(17)12-11(18-4)5-6-19-12/h5-6H,7H2,1-4H3,(H,14,17)
InChIKeyZMXAQCXKPXWZHU-UHFFFAOYSA-N
XLogP2.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 79036382
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
3,6-dichloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110443051
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84599576
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 75484362
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 110446006) is 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is COc1ccsc1C(=O)NCc1c(C)nn(C)c1C.
What is the InChIKey of 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZMXAQCXKPXWZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-10(9(2)16(3)15-8)7-14-13(17)12-11(18-4)5-6-19-12/h5-6H,7H2,1-4H3,(H,14,17).
What are the key properties of 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110446006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).