(6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C25H32ClN5O3 — CID 92744469

IUPAC(6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)nn2C[C@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H32ClN5O3/c1-4-5-12-30-23(33)21-14-20(22(32)27-18-11-10-16(2)19(26)13-18)29-31(21)15-25(30,3)24(34)28-17-8-6-7-9-17/h10-11,13-14,17H,4-9,12,15H2,1-3H3,(H,27,32)(H,28,34)/t25-/m1/s1
InChIKeyXGNVGVLMXGFQKR-RUZDIDTESA-N
MW486.02 g/mol
LogP4.17
Rot. Bonds7

About (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744469) has the molecular formula C25H32ClN5O3 and a molecular weight of 486.02 g/mol. Its IUPAC name is (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92744469
Molecular FormulaC25H32ClN5O3
Molecular Weight486.02 g/mol
Exact Mass485.22
IUPAC Name(6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)nn2C[C@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H32ClN5O3/c1-4-5-12-30-23(33)21-14-20(22(32)27-18-11-10-16(2)19(26)13-18)29-31(21)15-25(30,3)24(34)28-17-8-6-7-9-17/h10-11,13-14,17H,4-9,12,15H2,1-3H3,(H,27,32)(H,28,34)/t25-/m1/s1
InChIKeyXGNVGVLMXGFQKR-RUZDIDTESA-N
XLogP4.17
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

(6R)-5-butyl-6-N-cyclopentyl-2-N-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744557
(6S)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744516
5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758732
5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-(2,4,6-trimethylphenyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758930
2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758976
5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758772
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
(6R)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744493
(6S)-5-butyl-6-N-cyclopentyl-2-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744444
ethyl 3-[[(6S)-5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]benzoate
CID 92744448

Frequently Asked Questions

What is the IUPAC name of (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744469) is (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCN1C(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)nn2C[C@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is XGNVGVLMXGFQKR-RUZDIDTESA-N. The full InChI is InChI=1S/C25H32ClN5O3/c1-4-5-12-30-23(33)21-14-20(22(32)27-18-11-10-16(2)19(26)13-18)29-31(21)15-25(30,3)24(34)28-17-8-6-7-9-17/h10-11,13-14,17H,4-9,12,15H2,1-3H3,(H,27,32)(H,28,34)/t25-/m1/s1.
What are the key properties of (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 486.02 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).