2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide

C22H26N4O3 — CID 172906786

IUPAC2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide
SMILESCCCCOc1ccccc1-c1cc2c(=O)n(CC(=O)NCC3CC3)ccn2n1
InChIInChI=1S/C22H26N4O3/c1-2-3-12-29-20-7-5-4-6-17(20)18-13-19-22(28)25(10-11-26(19)24-18)15-21(27)23-14-16-8-9-16/h4-7,10-11,13,16H,2-3,8-9,12,14-15H2,1H3,(H,23,27)
InChIKeyBTEOPXQKFWPGKO-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.87
Rot. Bonds9

About 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide

2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 172906786) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID172906786
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide
SMILESCCCCOc1ccccc1-c1cc2c(=O)n(CC(=O)NCC3CC3)ccn2n1
InChIInChI=1S/C22H26N4O3/c1-2-3-12-29-20-7-5-4-6-17(20)18-13-19-22(28)25(10-11-26(19)24-18)15-21(27)23-14-16-8-9-16/h4-7,10-11,13,16H,2-3,8-9,12,14-15H2,1H3,(H,23,27)
InChIKeyBTEOPXQKFWPGKO-UHFFFAOYSA-N
XLogP2.87
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one
CID 172906699
5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 163353551
2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092949
2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906802
2-(2-butoxyphenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092944
2-[2-(4-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 50742930
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27372712
N-cyclopentyl-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795598
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 27372713
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16875796
3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95183228

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide (CID 172906786) is 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide is CCCCOc1ccccc1-c1cc2c(=O)n(CC(=O)NCC3CC3)ccn2n1.
What is the InChIKey of 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is BTEOPXQKFWPGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-3-12-29-20-7-5-4-6-17(20)18-13-19-22(28)25(10-11-26(19)24-18)15-21(27)23-14-16-8-9-16/h4-7,10-11,13,16H,2-3,8-9,12,14-15H2,1H3,(H,23,27).
What are the key properties of 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide?
2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 172906786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).