5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol

C15H21N3O2 — CID 43749211

IUPAC5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NC(C)Cn2cccn2)c(O)c1
InChIInChI=1S/C15H21N3O2/c1-11(10-18-8-4-7-16-18)17-12(2)14-6-5-13(20-3)9-15(14)19/h4-9,11-12,17,19H,10H2,1-3H3
InChIKeyNLWBNZGPFUTCBU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.34
Rot. Bonds6

About 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol

5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol (PubChem CID 43749211) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
PubChem CID43749211
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NC(C)Cn2cccn2)c(O)c1
InChIInChI=1S/C15H21N3O2/c1-11(10-18-8-4-7-16-18)17-12(2)14-6-5-13(20-3)9-15(14)19/h4-9,11-12,17,19H,10H2,1-3H3
InChIKeyNLWBNZGPFUTCBU-UHFFFAOYSA-N
XLogP2.34
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.34
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

5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
CID 43749281
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 82774489
5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
CID 81402064
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
CID 43692623

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol (CID 43749211) is 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol is COc1ccc(C(C)NC(C)Cn2cccn2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol?
The InChIKey is NLWBNZGPFUTCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(10-18-8-4-7-16-18)17-12(2)14-6-5-13(20-3)9-15(14)19/h4-9,11-12,17,19H,10H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol?
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol has a molecular weight of 275.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43749211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).