1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide

C22H16ClN5O3S — CID 24629751

IUPAC1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCc1sc2ncn(NC(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)c(=O)c2c1C
InChIInChI=1S/C22H16ClN5O3S/c1-12-13(2)32-21-19(12)22(30)27(11-24-21)26-20(29)16-10-17(18-4-3-9-31-18)28(25-16)15-7-5-14(23)6-8-15/h3-11H,1-2H3,(H,26,29)
InChIKeyRILBKESCQXGKSH-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.56
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide

1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 24629751) has the molecular formula C22H16ClN5O3S and a molecular weight of 465.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID24629751
Molecular FormulaC22H16ClN5O3S
Molecular Weight465.92 g/mol
Exact Mass465.07
IUPAC Name1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCc1sc2ncn(NC(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)c(=O)c2c1C
InChIInChI=1S/C22H16ClN5O3S/c1-12-13(2)32-21-19(12)22(30)27(11-24-21)26-20(29)16-10-17(18-4-3-9-31-18)28(25-16)15-7-5-14(23)6-8-15/h3-11H,1-2H3,(H,26,29)
InChIKeyRILBKESCQXGKSH-UHFFFAOYSA-N
XLogP4.56
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
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1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide
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1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide (CID 24629751) is 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide is Cc1sc2ncn(NC(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)c(=O)c2c1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is RILBKESCQXGKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O3S/c1-12-13(2)32-21-19(12)22(30)27(11-24-21)26-20(29)16-10-17(18-4-3-9-31-18)28(25-16)15-7-5-14(23)6-8-15/h3-11H,1-2H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 465.92 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 24629751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).