(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid

C13H14N4O2 — CID 174158343

IUPAC(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid
SMILESCc1cc2n(n1)-c1cccc(NC(=O)O)c1N(C)C2
InChIInChI=1S/C13H14N4O2/c1-8-6-9-7-16(2)12-10(14-13(18)19)4-3-5-11(12)17(9)15-8/h3-6,14H,7H2,1-2H3,(H,18,19)
InChIKeyGNIKBJILAZIAQK-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.22
Rot. Bonds1

About (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid

(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid (PubChem CID 174158343) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid.

Molecular Properties

Compound Name(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid
PubChem CID174158343
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid
SMILESCc1cc2n(n1)-c1cccc(NC(=O)O)c1N(C)C2
InChIInChI=1S/C13H14N4O2/c1-8-6-9-7-16(2)12-10(14-13(18)19)4-3-5-11(12)17(9)15-8/h3-6,14H,7H2,1-2H3,(H,18,19)
InChIKeyGNIKBJILAZIAQK-UHFFFAOYSA-N
XLogP2.22
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 175525775
(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid
CID 170348101
(8-fluoro-2,5-dimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl)carbamic acid
CID 174240079
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902987
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
tert-butyl N-(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamate
CID 164902950
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 43073973
2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128180

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid?
The IUPAC name of (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid (CID 174158343) is (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid.
What is the SMILES notation for (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid?
The canonical SMILES for (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid is Cc1cc2n(n1)-c1cccc(NC(=O)O)c1N(C)C2.
What is the InChIKey of (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid?
The InChIKey is GNIKBJILAZIAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-6-9-7-16(2)12-10(14-13(18)19)4-3-5-11(12)17(9)15-8/h3-6,14H,7H2,1-2H3,(H,18,19).
What are the key properties of (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid?
(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid has a molecular weight of 258.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)carbamic acid is sourced from PubChem (CID 174158343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).