7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol

C15H24N2O2 — CID 115837767

IUPAC7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1C2CCCCC21
InChIInChI=1S/C15H24N2O2/c1-3-8-17-14(12(19-2)9-16-17)15(18)13-10-6-4-5-7-11(10)13/h9-11,13,15,18H,3-8H2,1-2H3
InChIKeyKXNZLJIMDGTIRR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.77
Rot. Bonds5

About 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol

7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 115837767) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID115837767
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1C2CCCCC21
InChIInChI=1S/C15H24N2O2/c1-3-8-17-14(12(19-2)9-16-17)15(18)13-10-6-4-5-7-11(10)13/h9-11,13,15,18H,3-8H2,1-2H3
InChIKeyKXNZLJIMDGTIRR-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191
3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol
CID 114637952
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 107191239
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
CID 105130487
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 115837767) is 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is KXNZLJIMDGTIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-8-17-14(12(19-2)9-16-17)15(18)13-10-6-4-5-7-11(10)13/h9-11,13,15,18H,3-8H2,1-2H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol?
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol has a molecular weight of 264.37 g/mol, XLogP of 2.77, 5 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-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 115837767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).