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

C26H35N5O3 — CID 50758772

IUPAC5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3cccc(CC)c3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H35N5O3/c1-4-6-14-30-24(33)22-16-21(23(32)27-20-13-9-10-18(5-2)15-20)29-31(22)17-26(30,3)25(34)28-19-11-7-8-12-19/h9-10,13,15-16,19H,4-8,11-12,14,17H2,1-3H3,(H,27,32)(H,28,34)
InChIKeySIHRWZMIIHEOTB-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.77
Rot. Bonds8

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

5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758772) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID50758772
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3cccc(CC)c3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H35N5O3/c1-4-6-14-30-24(33)22-16-21(23(32)27-20-13-9-10-18(5-2)15-20)29-31(22)17-26(30,3)25(34)28-19-11-7-8-12-19/h9-10,13,15-16,19H,4-8,11-12,14,17H2,1-3H3,(H,27,32)(H,28,34)
InChIKeySIHRWZMIIHEOTB-UHFFFAOYSA-N
XLogP3.77
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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
(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
(6S)-5-butyl-6-N-cyclopentyl-2-N-(2-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744450
(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
5-butyl-6-N-cyclopentyl-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758732
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
(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
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475
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

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758772) is 5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-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-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCN1C(=O)c2cc(C(=O)Nc3cccc(CC)c3)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is SIHRWZMIIHEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-4-6-14-30-24(33)22-16-21(23(32)27-20-13-9-10-18(5-2)15-20)29-31(22)17-26(30,3)25(34)28-19-11-7-8-12-19/h9-10,13,15-16,19H,4-8,11-12,14,17H2,1-3H3,(H,27,32)(H,28,34).
What are the key properties of 5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-N-cyclopentyl-2-N-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).