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

C25H33ClN4O2 — CID 46272634

IUPAC5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1Cl)C2=O
InChIInChI=1S/C25H33ClN4O2/c1-17(2)21-14-22-23(31)29(15-18-10-8-9-13-20(18)26)25(3,16-30(22)28-21)24(32)27-19-11-6-4-5-7-12-19/h8-10,13-14,17,19H,4-7,11-12,15-16H2,1-3H3,(H,27,32)
InChIKeySHBLEWWSLCSFOA-UHFFFAOYSA-N
MW457.02 g/mol
LogP4.91
Rot. Bonds5

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

5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272634) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272634
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC Name5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1Cl)C2=O
InChIInChI=1S/C25H33ClN4O2/c1-17(2)21-14-22-23(31)29(15-18-10-8-9-13-20(18)26)25(3,16-30(22)28-21)24(32)27-19-11-6-4-5-7-12-19/h8-10,13-14,17,19H,4-7,11-12,15-16H2,1-3H3,(H,27,32)
InChIKeySHBLEWWSLCSFOA-UHFFFAOYSA-N
XLogP4.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.02
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522328
(6S)-5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738805
(6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738785
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522330
(6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738861
N-cyclohexyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522394
methyl (6R)-5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744670
methyl 5-[(2-chlorophenyl)methyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50758814
(6S)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738854
5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272632
(6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738853
methyl (6S)-7-[(2-chlorophenyl)methyl]-6-(cycloheptylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92743064

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272634) is 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1Cl)C2=O.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is SHBLEWWSLCSFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O2/c1-17(2)21-14-22-23(31)29(15-18-10-8-9-13-20(18)26)25(3,16-30(22)28-21)24(32)27-19-11-6-4-5-7-12-19/h8-10,13-14,17,19H,4-7,11-12,15-16H2,1-3H3,(H,27,32).
What are the key properties of 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 457.02 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).