6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid

C13H18N4O5 — CID 174162483

IUPAC6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESCC1Cn2ncc(NC(=O)OC(C)(C)C)c2C(=O)N1C(=O)O
InChIInChI=1S/C13H18N4O5/c1-7-6-16-9(10(18)17(7)12(20)21)8(5-14-16)15-11(19)22-13(2,3)4/h5,7H,6H2,1-4H3,(H,15,19)(H,20,21)
InChIKeyWZONGQKHKRJVBF-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.75
Rot. Bonds1

About 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid

6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 174162483) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID174162483
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Name6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESCC1Cn2ncc(NC(=O)OC(C)(C)C)c2C(=O)N1C(=O)O
InChIInChI=1S/C13H18N4O5/c1-7-6-16-9(10(18)17(7)12(20)21)8(5-14-16)15-11(19)22-13(2,3)4/h5,7H,6H2,1-4H3,(H,15,19)(H,20,21)
InChIKeyWZONGQKHKRJVBF-UHFFFAOYSA-N
XLogP1.75
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(6S)-5-[4-(3-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamate
CID 170713653
[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid
CID 174204351
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate
CID 171775901
tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane
CID 142427527
tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134182614

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 174162483) is 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid is CC1Cn2ncc(NC(=O)OC(C)(C)C)c2C(=O)N1C(=O)O.
What is the InChIKey of 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is WZONGQKHKRJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-7-6-16-9(10(18)17(7)12(20)21)8(5-14-16)15-11(19)22-13(2,3)4/h5,7H,6H2,1-4H3,(H,15,19)(H,20,21).
What are the key properties of 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid?
6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 174162483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).