4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide

C13H17N3O2S — CID 79465562

IUPAC4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCc2cn[nH]c2C)c1
InChIInChI=1S/C13H17N3O2S/c1-9-10(7-15-16-9)4-3-5-14-13(17)12-6-11(18-2)8-19-12/h6-8H,3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySAVHFNZTYCUCDB-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.15
Rot. Bonds6

About 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide

4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide (PubChem CID 79465562) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
PubChem CID79465562
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCc2cn[nH]c2C)c1
InChIInChI=1S/C13H17N3O2S/c1-9-10(7-15-16-9)4-3-5-14-13(17)12-6-11(18-2)8-19-12/h6-8H,3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySAVHFNZTYCUCDB-UHFFFAOYSA-N
XLogP2.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 81094396
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 103403401
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039228
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide (CID 79465562) is 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide is COc1csc(C(=O)NCCCc2cn[nH]c2C)c1.
What is the InChIKey of 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide?
The InChIKey is SAVHFNZTYCUCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-10(7-15-16-9)4-3-5-14-13(17)12-6-11(18-2)8-19-12/h6-8H,3-5H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide?
4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 79465562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).