N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide

C15H20N4O2S — CID 31847167

IUPACN-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C15H20N4O2S/c1-18(9-12-8-17-19(2)10-12)14(20)4-3-6-16-15(21)13-5-7-22-11-13/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,21)
InChIKeyPUZVYSWTVYAURW-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.65
Rot. Bonds7

About N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 31847167) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID31847167
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C15H20N4O2S/c1-18(9-12-8-17-19(2)10-12)14(20)4-3-6-16-15(21)13-5-7-22-11-13/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,21)
InChIKeyPUZVYSWTVYAURW-UHFFFAOYSA-N
XLogP1.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide (CID 31847167) is N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)CCCNC(=O)c1ccsc1.
What is the InChIKey of N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is PUZVYSWTVYAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18(9-12-8-17-19(2)10-12)14(20)4-3-6-16-15(21)13-5-7-22-11-13/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,21).
What are the key properties of N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 31847167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).