2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol

C16H21N3O2 — CID 43745581

IUPAC2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol
SMILESCC(Nc1cnn(CC2CCCO2)c1)c1ccccc1O
InChIInChI=1S/C16H21N3O2/c1-12(15-6-2-3-7-16(15)20)18-13-9-17-19(10-13)11-14-5-4-8-21-14/h2-3,6-7,9-10,12,14,18,20H,4-5,8,11H2,1H3
InChIKeyXRMNBPQDKDISSA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol

2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol (PubChem CID 43745581) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol
PubChem CID43745581
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol
SMILESCC(Nc1cnn(CC2CCCO2)c1)c1ccccc1O
InChIInChI=1S/C16H21N3O2/c1-12(15-6-2-3-7-16(15)20)18-13-9-17-19(10-13)11-14-5-4-8-21-14/h2-3,6-7,9-10,12,14,18,20H,4-5,8,11H2,1H3
InChIKeyXRMNBPQDKDISSA-UHFFFAOYSA-N
XLogP2.94
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65197316
N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745597
N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-amine
CID 129374098
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-[(1R)-1-(2-fluorophenyl)ethyl]-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567744
N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 63946105
1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038237
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol?
The IUPAC name of 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol (CID 43745581) is 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol?
The canonical SMILES for 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol is CC(Nc1cnn(CC2CCCO2)c1)c1ccccc1O.
What is the InChIKey of 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol?
The InChIKey is XRMNBPQDKDISSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(15-6-2-3-7-16(15)20)18-13-9-17-19(10-13)11-14-5-4-8-21-14/h2-3,6-7,9-10,12,14,18,20H,4-5,8,11H2,1H3.
What are the key properties of 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol?
2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 43745581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).