N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide

C19H22N4O3 — CID 91913713

IUPACN-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O
InChIInChI=1S/C19H22N4O3/c1-19(2,3)20-15(25)11-22-9-10-23-17(18(22)26)14(12-24)16(21-23)13-7-5-4-6-8-13/h4-10,24H,11-12H2,1-3H3,(H,20,25)
InChIKeyHZJPVPGYFJHIIB-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.57
Rot. Bonds4

About N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 91913713) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID91913713
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O
InChIInChI=1S/C19H22N4O3/c1-19(2,3)20-15(25)11-22-9-10-23-17(18(22)26)14(12-24)16(21-23)13-7-5-4-6-8-13/h4-10,24H,11-12H2,1-3H3,(H,20,25)
InChIKeyHZJPVPGYFJHIIB-UHFFFAOYSA-N
XLogP1.57
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142417949
4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
CID 138756829
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 153297970
N-(4-Chloro-2-fluorophenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]acetamide
CID 91887257
4-[1-[[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino]ethyl]Benzoic acid
CID 155538389
1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide
CID 166633107
N-Cyclopentyl-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]acetamide
CID 91887232
2-[2-(4-Fluorophenyl)-3-(hydroxymethyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]-N-(3-methylphenyl)acetamide
CID 91887245
[3-(Hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 24793119
5-[(4-Bromophenyl)methyl]-2-(4-fluorophenyl)-3-(hydroxymethyl)-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91887191
2-[2-(4-Fluorophenyl)-3-(hydroxymethyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 91887213
N-(2-Chlorophenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]acetamide
CID 91887221

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 91913713) is N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide is CC(C)(C)NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O.
What is the InChIKey of N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is HZJPVPGYFJHIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-19(2,3)20-15(25)11-22-9-10-23-17(18(22)26)14(12-24)16(21-23)13-7-5-4-6-8-13/h4-10,24H,11-12H2,1-3H3,(H,20,25).
What are the key properties of N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 91913713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).