6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol

C14H22ClN3O — CID 115834227

IUPAC6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)C1C2CCCC21
InChIInChI=1S/C14H22ClN3O/c1-17(2)6-7-18-13(11(15)8-16-18)14(19)12-9-4-3-5-10(9)12/h8-10,12,14,19H,3-7H2,1-2H3
InChIKeyNDQHKNQOPMAFQJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.18
Rot. Bonds5

About 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol

6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol (PubChem CID 115834227) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
PubChem CID115834227
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)C1C2CCCC21
InChIInChI=1S/C14H22ClN3O/c1-17(2)6-7-18-13(11(15)8-16-18)14(19)12-9-4-3-5-10(9)12/h8-10,12,14,19H,3-7H2,1-2H3
InChIKeyNDQHKNQOPMAFQJ-UHFFFAOYSA-N
XLogP2.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038986
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462
[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]-piperidin-3-ylmethanol
CID 114637159
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114643672
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
2-[5-[amino-(2,2-dimethylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190917
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxyacetic acid
CID 114636529
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol (CID 115834227) is 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol is CN(C)CCn1ncc(Cl)c1C(O)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol?
The InChIKey is NDQHKNQOPMAFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-17(2)6-7-18-13(11(15)8-16-18)14(19)12-9-4-3-5-10(9)12/h8-10,12,14,19H,3-7H2,1-2H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol?
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol has a molecular weight of 283.80 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 115834227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).