7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C14H22N2O2 — CID 115837191

IUPAC7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)C1C2CCCCC21
InChIInChI=1S/C14H22N2O2/c1-3-16-13(11(18-2)8-15-16)14(17)12-9-6-4-5-7-10(9)12/h8-10,12,14,17H,3-7H2,1-2H3
InChIKeyVHUGVOVDVYCSEJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds4

About 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol

7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 115837191) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID115837191
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCn1ncc(OC)c1C(O)C1C2CCCCC21
InChIInChI=1S/C14H22N2O2/c1-3-16-13(11(18-2)8-15-16)14(17)12-9-6-4-5-7-10(9)12/h8-10,12,14,17H,3-7H2,1-2H3
InChIKeyVHUGVOVDVYCSEJ-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
CID 105130248
2-cyclohexyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanol
CID 114645947
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol
CID 114104696
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
CID 114636558
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine
CID 114658855
[2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339349
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 115837191) is 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCn1ncc(OC)c1C(O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is VHUGVOVDVYCSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16-13(11(18-2)8-15-16)14(17)12-9-6-4-5-7-10(9)12/h8-10,12,14,17H,3-7H2,1-2H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 250.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 115837191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).