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

C27H29ClN4O3 — CID 50756679

IUPAC5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(c2cccc(Cl)c2)C3=O)cc1
InChIInChI=1S/C27H29ClN4O3/c1-27(26(34)29-20-8-4-3-5-9-20)17-31-24(25(33)32(27)21-10-6-7-19(28)15-21)16-23(30-31)18-11-13-22(35-2)14-12-18/h6-7,10-16,20H,3-5,8-9,17H2,1-2H3,(H,29,34)
InChIKeyVFNNXRVUQFJWQR-UHFFFAOYSA-N
MW493.01 g/mol
LogP5.08
Rot. Bonds5

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

5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756679) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756679
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC Name5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(c2cccc(Cl)c2)C3=O)cc1
InChIInChI=1S/C27H29ClN4O3/c1-27(26(34)29-20-8-4-3-5-9-20)17-31-24(25(33)32(27)21-10-6-7-19(28)15-21)16-23(30-31)18-11-13-22(35-2)14-12-18/h6-7,10-16,20H,3-5,8-9,17H2,1-2H3,(H,29,34)
InChIKeyVFNNXRVUQFJWQR-UHFFFAOYSA-N
XLogP5.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.01
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756679) is 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NC2CCCCC2)N(c2cccc(Cl)c2)C3=O)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is VFNNXRVUQFJWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-27(26(34)29-20-8-4-3-5-9-20)17-31-24(25(33)32(27)21-10-6-7-19(28)15-21)16-23(30-31)18-11-13-22(35-2)14-12-18/h6-7,10-16,20H,3-5,8-9,17H2,1-2H3,(H,29,34).
What are the key properties of 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 493.01 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).