4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid

C11H17N3O3 — CID 165476080

IUPAC4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCCC2NCCO
InChIInChI=1S/C11H17N3O3/c15-6-4-12-8-3-1-2-5-14-10(8)7-9(13-14)11(16)17/h7-8,12,15H,1-6H2,(H,16,17)
InChIKeyQXGQOUJDYSGQEQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.39
Rot. Bonds4

About 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid

4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid (PubChem CID 165476080) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
PubChem CID165476080
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCCC2NCCO
InChIInChI=1S/C11H17N3O3/c15-6-4-12-8-3-1-2-5-14-10(8)7-9(13-14)11(16)17/h7-8,12,15H,1-6H2,(H,16,17)
InChIKeyQXGQOUJDYSGQEQ-UHFFFAOYSA-N
XLogP0.39
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(butylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165486929
4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 165457908
4-(diethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476081
4-[ethyl(methyl)amino]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476083
4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 136570516
4-[(4,4-difluoropiperidine-1-carbonyl)amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 166273794
4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 142375283
3-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166422330
methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride
CID 119099129
4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid
CID 22605296
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid (CID 165476080) is 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCCCC2NCCO.
What is the InChIKey of 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid?
The InChIKey is QXGQOUJDYSGQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-6-4-12-8-3-1-2-5-14-10(8)7-9(13-14)11(16)17/h7-8,12,15H,1-6H2,(H,16,17).
What are the key properties of 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid?
4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid is sourced from PubChem (CID 165476080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).