N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide

C13H16N4O2S — CID 47057480

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cnn(CC(N)=O)c2)cc1C
InChIInChI=1S/C13H16N4O2S/c1-3-10-8(2)4-11(20-10)13(19)16-9-5-15-17(6-9)7-12(14)18/h4-6H,3,7H2,1-2H3,(H2,14,18)(H,16,19)
InChIKeySQZMHPXLTAUJIM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.55
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 47057480) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID47057480
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cnn(CC(N)=O)c2)cc1C
InChIInChI=1S/C13H16N4O2S/c1-3-10-8(2)4-11(20-10)13(19)16-9-5-15-17(6-9)7-12(14)18/h4-6H,3,7H2,1-2H3,(H2,14,18)(H,16,19)
InChIKeySQZMHPXLTAUJIM-UHFFFAOYSA-N
XLogP1.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
N-hydroxy-5-(1-(2-oxo-2-(phenylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 10246764
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
US9586948, Example 22
CID 117872182
4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 2970279
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 842099
N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 47057480) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cnn(CC(N)=O)c2)cc1C.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is SQZMHPXLTAUJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-10-8(2)4-11(20-10)13(19)16-9-5-15-17(6-9)7-12(14)18/h4-6H,3,7H2,1-2H3,(H2,14,18)(H,16,19).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 47057480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).