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

C26H35N5O4 — CID 50758822

IUPAC5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3cc(C)ccc3OC)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H35N5O4/c1-5-6-13-30-24(33)21-15-20(23(32)28-19-14-17(2)11-12-22(19)35-4)29-31(21)16-26(30,3)25(34)27-18-9-7-8-10-18/h11-12,14-15,18H,5-10,13,16H2,1-4H3,(H,27,34)(H,28,32)
InChIKeyKXJWTNPADLVJGX-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.53
Rot. Bonds8

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

5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758822) 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-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID50758822
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)Nc3cc(C)ccc3OC)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H35N5O4/c1-5-6-13-30-24(33)21-15-20(23(32)28-19-14-17(2)11-12-22(19)35-4)29-31(21)16-26(30,3)25(34)27-18-9-7-8-10-18/h11-12,14-15,18H,5-10,13,16H2,1-4H3,(H,27,34)(H,28,32)
InChIKeyKXJWTNPADLVJGX-UHFFFAOYSA-N
XLogP3.53
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(6S)-5-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744512
(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-6-methyl-4-oxo-2-N-(2,4,6-trimethylphenyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758930
(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
(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
(6S)-5-butyl-2-N-(2-chloro-4-fluorophenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744554
(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-2-N-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758732
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-2-N-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744557
6-N-cyclopentyl-5-ethyl-6-methyl-2-N-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758719

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758822) is 5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCN1C(=O)c2cc(C(=O)Nc3cc(C)ccc3OC)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is KXJWTNPADLVJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-5-6-13-30-24(33)21-15-20(23(32)28-19-14-17(2)11-12-22(19)35-4)29-31(21)16-26(30,3)25(34)27-18-9-7-8-10-18/h11-12,14-15,18H,5-10,13,16H2,1-4H3,(H,27,34)(H,28,32).
What are the key properties of 5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
5-butyl-6-N-cyclopentyl-2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.53, 8 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-(2-methoxy-5-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).