5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one

C18H19ClN4O2S — CID 136953925

IUPAC5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one
SMILESCC(C)(C)C(=O)n1nc(-c2ccc(=O)[nH]c2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C18H19ClN4O2S/c1-18(2,3)17(25)23-15(20-10-12-5-6-14(19)26-12)8-13(22-23)11-4-7-16(24)21-9-11/h4-9,20H,10H2,1-3H3,(H,21,24)
InChIKeyJVEVUFPGOLFMFM-UHFFFAOYSA-N
MW390.90 g/mol
LogP4.25
Rot. Bonds4

About 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one (PubChem CID 136953925) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one
PubChem CID136953925
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one
SMILESCC(C)(C)C(=O)n1nc(-c2ccc(=O)[nH]c2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C18H19ClN4O2S/c1-18(2,3)17(25)23-15(20-10-12-5-6-14(19)26-12)8-13(22-23)11-4-7-16(24)21-9-11/h4-9,20H,10H2,1-3H3,(H,21,24)
InChIKeyJVEVUFPGOLFMFM-UHFFFAOYSA-N
XLogP4.25
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one (CID 136953925) is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one is CC(C)(C)C(=O)n1nc(-c2ccc(=O)[nH]c2)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one?
The InChIKey is JVEVUFPGOLFMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-18(2,3)17(25)23-15(20-10-12-5-6-14(19)26-12)8-13(22-23)11-4-7-16(24)21-9-11/h4-9,20H,10H2,1-3H3,(H,21,24).
What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one?
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one has a molecular weight of 390.90 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136953925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).