4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C11H16N4O — CID 136839544

IUPAC4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESNC(=O)c1cnn2c1NCC1CCCCC12
InChIInChI=1S/C11H16N4O/c12-10(16)8-6-14-15-9-4-2-1-3-7(9)5-13-11(8)15/h6-7,9,13H,1-5H2,(H2,12,16)
InChIKeyBJKUMWWQUBDWFV-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.14
Rot. Bonds1

About 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide

4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 136839544) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID136839544
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESNC(=O)c1cnn2c1NCC1CCCCC12
InChIInChI=1S/C11H16N4O/c12-10(16)8-6-14-15-9-4-2-1-3-7(9)5-13-11(8)15/h6-7,9,13H,1-5H2,(H2,12,16)
InChIKeyBJKUMWWQUBDWFV-UHFFFAOYSA-N
XLogP1.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136837931
4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazoline-2-carboxamide
CID 136839195
7-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839494
7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839508
7-(dimethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839551
5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140502222
7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137012092
7-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839493
4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-2-carboxylic acid
CID 136775790
(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136872646
5-amino-1-cyclopentylpyrazole-4-carbonitrile;5-amino-1-cyclopentylpyrazole-4-carboxamide;sulfuric acid
CID 159439118
7-(aminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 136775845

Frequently Asked Questions

What is the IUPAC name of 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 136839544) is 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide is NC(=O)c1cnn2c1NCC1CCCCC12.
What is the InChIKey of 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is BJKUMWWQUBDWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-10(16)8-6-14-15-9-4-2-1-3-7(9)5-13-11(8)15/h6-7,9,13H,1-5H2,(H2,12,16).
What are the key properties of 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 136839544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).