N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C19H23N3OS — CID 22517052

IUPACN-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCCC2)c2c1-c1ccccc1SC2
InChIInChI=1S/C19H23N3OS/c1-22-18-14-10-6-7-11-16(14)24-12-15(18)17(21-22)19(23)20-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,23)
InChIKeyCNVSAQSMBJTDRZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.15
Rot. Bonds2

About N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517052) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517052
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCCC2)c2c1-c1ccccc1SC2
InChIInChI=1S/C19H23N3OS/c1-22-18-14-10-6-7-11-16(14)24-12-15(18)17(21-22)19(23)20-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,23)
InChIKeyCNVSAQSMBJTDRZ-UHFFFAOYSA-N
XLogP4.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22517052) is N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCCCCC2)c2c1-c1ccccc1SC2.
What is the InChIKey of N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is CNVSAQSMBJTDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-22-18-14-10-6-7-11-16(14)24-12-15(18)17(21-22)19(23)20-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,23).
What are the key properties of N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).