4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide

C14H19N3OS — CID 38606716

IUPAC4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide
SMILESCCc1cc(C(=O)N[C@@H](C)Cn2cccn2)sc1C
InChIInChI=1S/C14H19N3OS/c1-4-12-8-13(19-11(12)3)14(18)16-10(2)9-17-7-5-6-15-17/h5-8,10H,4,9H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyBHWVCXJIDIVFHE-JTQLQIEISA-N
MW277.39 g/mol
LogP2.63
Rot. Bonds5

About 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide

4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 38606716) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide
PubChem CID38606716
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide
SMILESCCc1cc(C(=O)N[C@@H](C)Cn2cccn2)sc1C
InChIInChI=1S/C14H19N3OS/c1-4-12-8-13(19-11(12)3)14(18)16-10(2)9-17-7-5-6-15-17/h5-8,10H,4,9H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyBHWVCXJIDIVFHE-JTQLQIEISA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
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
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
4-ethyl-5-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-thiophenecarboxamide
CID 1245360
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
1-(4,5,6,7-tetrahydro-1-benzothien-2-ylcarbonyl)-1H-pyrazole
CID 1246517
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 842099

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide (CID 38606716) is 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide is CCc1cc(C(=O)N[C@@H](C)Cn2cccn2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is BHWVCXJIDIVFHE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-12-8-13(19-11(12)3)14(18)16-10(2)9-17-7-5-6-15-17/h5-8,10H,4,9H2,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide?
4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 38606716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).