[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol

C14H22ClN3O2 — CID 114643672

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)C1CC2CCC1O2
InChIInChI=1S/C14H22ClN3O2/c1-17(2)5-6-18-13(11(15)8-16-18)14(19)10-7-9-3-4-12(10)20-9/h8-10,12,14,19H,3-7H2,1-2H3
InChIKeyHRYXQFGPOLFZDP-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.70
Rot. Bonds5

About [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol (PubChem CID 114643672) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
PubChem CID114643672
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)C1CC2CCC1O2
InChIInChI=1S/C14H22ClN3O2/c1-17(2)5-6-18-13(11(15)8-16-18)14(19)10-7-9-3-4-12(10)20-9/h8-10,12,14,19H,3-7H2,1-2H3
InChIKeyHRYXQFGPOLFZDP-UHFFFAOYSA-N
XLogP1.70
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-[methylamino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652491
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
2-[5-[amino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114652461
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834273
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114652496
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol
CID 114637159
2-[4-chloro-5-[methylamino-(2-methylcyclopropyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114655901
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxyacetic acid
CID 114636529
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol (CID 114643672) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol is CN(C)CCn1ncc(Cl)c1C(O)C1CC2CCC1O2.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The InChIKey is HRYXQFGPOLFZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-17(2)5-6-18-13(11(15)8-16-18)14(19)10-7-9-3-4-12(10)20-9/h8-10,12,14,19H,3-7H2,1-2H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol has a molecular weight of 299.80 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol is sourced from PubChem (CID 114643672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).