N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C23H26N4O2S — CID 53049390

IUPACN-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC(C)(C)C
InChIInChI=1S/C23H26N4O2S/c1-15-9-6-7-10-17(15)27-20(28)18-13-16(19-11-8-12-30-19)25-26(18)14-23(27,5)21(29)24-22(2,3)4/h6-13H,14H2,1-5H3,(H,24,29)
InChIKeyXZZBWKIELQLOIZ-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.25
Rot. Bonds3

About N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049390) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID53049390
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC(C)(C)C
InChIInChI=1S/C23H26N4O2S/c1-15-9-6-7-10-17(15)27-20(28)18-13-16(19-11-8-12-30-19)25-26(18)14-23(27,5)21(29)24-22(2,3)4/h6-13H,14H2,1-5H3,(H,24,29)
InChIKeyXZZBWKIELQLOIZ-UHFFFAOYSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-tert-butyl-5-(3-chloro-2-methylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062790
(6S)-N-tert-butyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062800
(6R)-N-tert-butyl-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062778
(6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062696
(6S)-5-(2,5-dimethylphenyl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062464
(6R)-5-(4-chloro-2-methylphenyl)-N-cyclopentyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062689
5-(5-chloro-2-methylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049275
(6S)-5-(5-chloro-2-methylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062562
N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049318
(6S)-5-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062390
(6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062745
(6R)-N-[(4-fluorophenyl)methyl]-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062539

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049390) is N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is XZZBWKIELQLOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-9-6-7-10-17(15)27-20(28)18-13-16(19-11-8-12-30-19)25-26(18)14-23(27,5)21(29)24-22(2,3)4/h6-13H,14H2,1-5H3,(H,24,29).
What are the key properties of N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-5-(2-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).