5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

C12H8ClN5OS — CID 122300304

IUPAC5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(-n2cccn2)nc1)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClN5OS/c13-10-3-2-9(20-10)11(19)17-8-6-14-12(15-7-8)18-5-1-4-16-18/h1-7H,(H,17,19)
InChIKeyWIRRSFBMAYLBNV-UHFFFAOYSA-N
MW305.75 g/mol
LogP2.63
Rot. Bonds3

About 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 122300304) has the molecular formula C12H8ClN5OS and a molecular weight of 305.75 g/mol. Its IUPAC name is 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID122300304
Molecular FormulaC12H8ClN5OS
Molecular Weight305.75 g/mol
Exact Mass305.01
IUPAC Name5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(-n2cccn2)nc1)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClN5OS/c13-10-3-2-9(20-10)11(19)17-8-6-14-12(15-7-8)18-5-1-4-16-18/h1-7H,(H,17,19)
InChIKeyWIRRSFBMAYLBNV-UHFFFAOYSA-N
XLogP2.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 53164697
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
CID 122300381
5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 53168005
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
1-methyl-2-oxo-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122300247
4-methyl-2-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 91967801
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
CID 122300366
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (CID 122300304) is 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is O=C(Nc1cnc(-n2cccn2)nc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is WIRRSFBMAYLBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5OS/c13-10-3-2-9(20-10)11(19)17-8-6-14-12(15-7-8)18-5-1-4-16-18/h1-7H,(H,17,19).
What are the key properties of 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 305.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 122300304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).