3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol

C15H25N3O2 — CID 115834678

IUPAC3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)C1CC2CC2C1
InChIInChI=1S/C15H25N3O2/c1-17(2)4-5-18-14(13(20-3)9-16-18)15(19)12-7-10-6-11(10)8-12/h9-12,15,19H,4-8H2,1-3H3
InChIKeyDYVIQRXTDKXWRV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.53
Rot. Bonds6

About 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol

3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol (PubChem CID 115834678) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
PubChem CID115834678
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
SMILESCOc1cnn(CCN(C)C)c1C(O)C1CC2CC2C1
InChIInChI=1S/C15H25N3O2/c1-17(2)4-5-18-14(13(20-3)9-16-18)15(19)12-7-10-6-11(10)8-12/h9-12,15,19H,4-8H2,1-3H3
InChIKeyDYVIQRXTDKXWRV-UHFFFAOYSA-N
XLogP1.53
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methyl-1,4-dithian-2-yl)methanol
CID 114645201
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
CID 114663647
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114634300

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol (CID 115834678) is 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol is COc1cnn(CCN(C)C)c1C(O)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
The InChIKey is DYVIQRXTDKXWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17(2)4-5-18-14(13(20-3)9-16-18)15(19)12-7-10-6-11(10)8-12/h9-12,15,19H,4-8H2,1-3H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol?
3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol has a molecular weight of 279.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol is sourced from PubChem (CID 115834678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).