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

C26H35N5O4 — CID 50758732

IUPAC5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H35N5O4/c1-4-6-15-30-24(33)22-16-21(23(32)27-19-11-13-20(14-12-19)35-5-2)29-31(22)17-26(30,3)25(34)28-18-9-7-8-10-18/h11-14,16,18H,4-10,15,17H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyXTKTYMDOYRKCBJ-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.61
Rot. Bonds9

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

5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758732) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID50758732
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H35N5O4/c1-4-6-15-30-24(33)22-16-21(23(32)27-19-11-13-20(14-12-19)35-5-2)29-31(22)17-26(30,3)25(34)28-18-9-7-8-10-18/h11-14,16,18H,4-10,15,17H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyXTKTYMDOYRKCBJ-UHFFFAOYSA-N
XLogP3.61
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
(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
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
ethyl 3-[[(6S)-5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]benzoate
CID 92744448
ethyl 3-[[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]amino]benzoate
CID 50758709
(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-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 71219692
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
(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
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758732) is 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCN1C(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is XTKTYMDOYRKCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-4-6-15-30-24(33)22-16-21(23(32)27-19-11-13-20(14-12-19)35-5-2)29-31(22)17-26(30,3)25(34)28-18-9-7-8-10-18/h11-14,16,18H,4-10,15,17H2,1-3H3,(H,27,32)(H,28,34).
What are the key properties of 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).