(4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone

C10H14ClN3O2 — CID 114670043

IUPAC(4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)C1COCC1N
InChIInChI=1S/C10H14ClN3O2/c1-2-14-9(7(11)3-13-14)10(15)6-4-16-5-8(6)12/h3,6,8H,2,4-5,12H2,1H3
InChIKeyCCOOMYWMEZAWOS-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.71
Rot. Bonds3

About (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone

(4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone (PubChem CID 114670043) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
PubChem CID114670043
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name(4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)C1COCC1N
InChIInChI=1S/C10H14ClN3O2/c1-2-14-9(7(11)3-13-14)10(15)6-4-16-5-8(6)12/h3,6,8H,2,4-5,12H2,1H3
InChIKeyCCOOMYWMEZAWOS-UHFFFAOYSA-N
XLogP0.71
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 116587363
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640787
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641456
(2-aminocyclohexyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669674
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
(3S,4S)-1-(4-chloro-1-ethylpyrazole-5-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 72935653
(4-aminocyclopent-2-en-1-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669928
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670411
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670668
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanone
CID 115815281

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone (CID 114670043) is (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone is CCn1ncc(Cl)c1C(=O)C1COCC1N.
What is the InChIKey of (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The InChIKey is CCOOMYWMEZAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-2-14-9(7(11)3-13-14)10(15)6-4-16-5-8(6)12/h3,6,8H,2,4-5,12H2,1H3.
What are the key properties of (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
(4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone has a molecular weight of 243.69 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone is sourced from PubChem (CID 114670043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).