[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol

C14H23N3O2 — CID 103573535

IUPAC[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2(CN)CC3CCC2O3)cn1
InChIInChI=1S/C14H23N3O2/c1-2-5-17-8-10(7-16-17)13(18)14(9-15)6-11-3-4-12(14)19-11/h7-8,11-13,18H,2-6,9,15H2,1H3
InChIKeyDKHZPOSILSMDIH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.22
Rot. Bonds5

About [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol (PubChem CID 103573535) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol
PubChem CID103573535
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2(CN)CC3CCC2O3)cn1
InChIInChI=1S/C14H23N3O2/c1-2-5-17-8-10(7-16-17)13(18)14(9-15)6-11-3-4-12(14)19-11/h7-8,11-13,18H,2-6,9,15H2,1H3
InChIKeyDKHZPOSILSMDIH-UHFFFAOYSA-N
XLogP1.22
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1-propylpyrazol-4-yl)ethanamine
CID 103572014
2-[hydroxy-(1-propylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carbonitrile
CID 103573499
1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 103573501
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
[1-(aminomethyl)-4-methylcyclohexyl]-(1-ethylpyrazol-4-yl)methanol
CID 103570954
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol (CID 103573535) is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2(CN)CC3CCC2O3)cn1.
What is the InChIKey of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol?
The InChIKey is DKHZPOSILSMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-5-17-8-10(7-16-17)13(18)14(9-15)6-11-3-4-12(14)19-11/h7-8,11-13,18H,2-6,9,15H2,1H3.
What are the key properties of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol?
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol has a molecular weight of 265.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103573535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).