(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

C11H13ClN2O2 — CID 114640238

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1CC2CCC1O2
InChIInChI=1S/C11H13ClN2O2/c1-14-10(8(12)5-13-14)11(15)7-4-6-2-3-9(7)16-6/h5-7,9H,2-4H2,1H3
InChIKeyOQOBMTQLKHRSBB-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.82
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 114640238) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID114640238
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1CC2CCC1O2
InChIInChI=1S/C11H13ClN2O2/c1-14-10(8(12)5-13-14)11(15)7-4-6-2-3-9(7)16-6/h5-7,9H,2-4H2,1H3
InChIKeyOQOBMTQLKHRSBB-UHFFFAOYSA-N
XLogP1.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone
CID 115809395
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
(2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 130993454
(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
CID 114640590
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
(2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 105394244
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668630

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (CID 114640238) is (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is Cn1ncc(Cl)c1C(=O)C1CC2CCC1O2.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is OQOBMTQLKHRSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-14-10(8(12)5-13-14)11(15)7-4-6-2-3-9(7)16-6/h5-7,9H,2-4H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 114640238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).