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

C12H15N3O2S — CID 75484362

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCOc1c(CNC(=O)c2cccs2)c(C)nn1C
InChIInChI=1S/C12H15N3O2S/c1-8-9(12(17-3)15(2)14-8)7-13-11(16)10-5-4-6-18-10/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeySGWSUQVPBNTBEA-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.73
Rot. Bonds4

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

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 75484362) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID75484362
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCOc1c(CNC(=O)c2cccs2)c(C)nn1C
InChIInChI=1S/C12H15N3O2S/c1-8-9(12(17-3)15(2)14-8)7-13-11(16)10-5-4-6-18-10/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeySGWSUQVPBNTBEA-UHFFFAOYSA-N
XLogP1.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84599576
3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 110446006
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
CID 154757430
N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 53148145
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 86790689
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 51131337
3-chloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-(1-phenoxyethyl)benzamide
CID 126751785
N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 8943704
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999191
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 75484362) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is COc1c(CNC(=O)c2cccs2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is SGWSUQVPBNTBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-9(12(17-3)15(2)14-8)7-13-11(16)10-5-4-6-18-10/h4-6H,7H2,1-3H3,(H,13,16).
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75484362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).