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

C24H31ClN4O2 — CID 46272632

IUPAC5-(3-chlorophenyl)-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(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C24H31ClN4O2/c1-16(2)20-14-21-22(30)29(19-12-8-9-17(25)13-19)24(3,15-28(21)27-20)23(31)26-18-10-6-4-5-7-11-18/h8-9,12-14,16,18H,4-7,10-11,15H2,1-3H3,(H,26,31)
InChIKeyYOUOTRDCYKYPKB-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.92
Rot. Bonds4

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

5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272632) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272632
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name5-(3-chlorophenyl)-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(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C24H31ClN4O2/c1-16(2)20-14-21-22(30)29(19-12-8-9-17(25)13-19)24(3,15-28(21)27-20)23(31)26-18-10-6-4-5-7-11-18/h8-9,12-14,16,18H,4-7,10-11,15H2,1-3H3,(H,26,31)
InChIKeyYOUOTRDCYKYPKB-UHFFFAOYSA-N
XLogP4.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738854
(6R)-5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738853
(6S)-5-(5-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738788
N-cyclohexyl-5-(4-methoxyphenyl)-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172126
(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
5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272634
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522330
(6R)-2-tert-butyl-N-cyclohexyl-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92903562
(6R)-5-(4-chlorophenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738556
N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522344
(6S)-2-tert-butyl-N-cycloheptyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738865
methyl 6-(cycloheptylcarbamoyl)-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279175

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272632) is 5-(3-chlorophenyl)-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-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-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(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is YOUOTRDCYKYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-16(2)20-14-21-22(30)29(19-12-8-9-17(25)13-19)24(3,15-28(21)27-20)23(31)26-18-10-6-4-5-7-11-18/h8-9,12-14,16,18H,4-7,10-11,15H2,1-3H3,(H,26,31).
What are the key properties of 5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 442.99 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).