5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H27ClN4O2S — CID 46272507

IUPAC5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C25H27ClN4O2S/c1-25(24(32)27-19-9-3-2-4-10-19)16-30-21(14-20(28-30)22-11-6-12-33-22)23(31)29(25)15-17-7-5-8-18(26)13-17/h5-8,11-14,19H,2-4,9-10,15-16H2,1H3,(H,27,32)
InChIKeyQXTNHWZPTHEMAZ-UHFFFAOYSA-N
MW483.04 g/mol
LogP5.13
Rot. Bonds5

About 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272507) has the molecular formula C25H27ClN4O2S and a molecular weight of 483.04 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272507
Molecular FormulaC25H27ClN4O2S
Molecular Weight483.04 g/mol
Exact Mass482.15
IUPAC Name5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C25H27ClN4O2S/c1-25(24(32)27-19-9-3-2-4-10-19)16-30-21(14-20(28-30)22-11-6-12-33-22)23(31)29(25)15-17-7-5-8-18(26)13-17/h5-8,11-14,19H,2-4,9-10,15-16H2,1H3,(H,27,32)
InChIKeyQXTNHWZPTHEMAZ-UHFFFAOYSA-N
XLogP5.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.04
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272507) is 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is QXTNHWZPTHEMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2S/c1-25(24(32)27-19-9-3-2-4-10-19)16-30-21(14-20(28-30)22-11-6-12-33-22)23(31)29(25)15-17-7-5-8-18(26)13-17/h5-8,11-14,19H,2-4,9-10,15-16H2,1H3,(H,27,32).
What are the key properties of 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 483.04 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).