N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H21N3OS — CID 651459

IUPACN-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC3CCCCC3)cc12
InChIInChI=1S/C19H21N3OS/c1-13-16-12-17(18(23)20-14-8-4-2-5-9-14)24-19(16)22(21-13)15-10-6-3-7-11-15/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,20,23)
InChIKeyXYHHLWDUYVJKSX-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.46
Rot. Bonds3

About N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 651459) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID651459
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC3CCCCC3)cc12
InChIInChI=1S/C19H21N3OS/c1-13-16-12-17(18(23)20-14-8-4-2-5-9-14)24-19(16)22(21-13)15-10-6-3-7-11-15/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,20,23)
InChIKeyXYHHLWDUYVJKSX-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 651459) is N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CCCCC3)cc12.
What is the InChIKey of N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XYHHLWDUYVJKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-16-12-17(18(23)20-14-8-4-2-5-9-14)24-19(16)22(21-13)15-10-6-3-7-11-15/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 651459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).