5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

C18H18N4O2S — CID 42521314

IUPAC5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1
InChIInChI=1S/C18H18N4O2S/c1-11(21-18(24)16-8-7-15(25-16)13(3)23)14-10-20-22(12(14)2)17-6-4-5-9-19-17/h4-11H,1-3H3,(H,21,24)/t11-/m1/s1
InChIKeyCWWUUPGVZPBKKV-LLVKDONJSA-N
MW354.44 g/mol
LogP3.33
Rot. Bonds5

About 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 42521314) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID42521314
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1
InChIInChI=1S/C18H18N4O2S/c1-11(21-18(24)16-8-7-15(25-16)13(3)23)14-10-20-22(12(14)2)17-6-4-5-9-19-17/h4-11H,1-3H3,(H,21,24)/t11-/m1/s1
InChIKeyCWWUUPGVZPBKKV-LLVKDONJSA-N
XLogP3.33
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
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2-methyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
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N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-thiophen-2-ylpropanamide
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N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide
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5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
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2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide
CID 99776917
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylpropanamide
CID 45235386
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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (CID 42521314) is 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1.
What is the InChIKey of 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CWWUUPGVZPBKKV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11(21-18(24)16-8-7-15(25-16)13(3)23)14-10-20-22(12(14)2)17-6-4-5-9-19-17/h4-11H,1-3H3,(H,21,24)/t11-/m1/s1.
What are the key properties of 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42521314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).