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

C25H27ClN4O2S — CID 22522158

IUPAC5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1c(Cl)cccc1N1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H27ClN4O2S/c1-16-18(26)10-6-11-20(16)30-23(31)21-14-19(22-12-7-13-33-22)28-29(21)15-25(30,2)24(32)27-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,27,32)
InChIKeyDIEVIHMDXBMOEK-UHFFFAOYSA-N
MW483.04 g/mol
LogP5.44
Rot. Bonds4

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

5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522158) has the molecular formula C25H27ClN4O2S and a molecular weight of 483.04 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID22522158
Molecular FormulaC25H27ClN4O2S
Molecular Weight483.04 g/mol
Exact Mass482.15
IUPAC Name5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1c(Cl)cccc1N1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H27ClN4O2S/c1-16-18(26)10-6-11-20(16)30-23(31)21-14-19(22-12-7-13-33-22)28-29(21)15-25(30,2)24(32)27-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,27,32)
InChIKeyDIEVIHMDXBMOEK-UHFFFAOYSA-N
XLogP5.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.04
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522158) is 5-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1c(Cl)cccc1N1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is DIEVIHMDXBMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2S/c1-16-18(26)10-6-11-20(16)30-23(31)21-14-19(22-12-7-13-33-22)28-29(21)15-25(30,2)24(32)27-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,27,32).
What are the key properties of 5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-(3-chloro-2-methylphenyl)-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 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).