(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

C14H19N3O — CID 81370767

IUPAC(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCCn2cccn2)cc1
InChIInChI=1S/C14H19N3O/c1-12(13-4-6-14(18-2)7-5-13)15-9-11-17-10-3-8-16-17/h3-8,10,12,15H,9,11H2,1-2H3/t12-/m1/s1
InChIKeyYURXFGZZSCGUIM-GFCCVEGCSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds6

About (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 81370767) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID81370767
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCCn2cccn2)cc1
InChIInChI=1S/C14H19N3O/c1-12(13-4-6-14(18-2)7-5-13)15-9-11-17-10-3-8-16-17/h3-8,10,12,15H,9,11H2,1-2H3/t12-/m1/s1
InChIKeyYURXFGZZSCGUIM-GFCCVEGCSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81371484
1-(3-bromo-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459542
(1S)-1-(3-chloro-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 95612012
4-[1-(2-pyrazol-1-ylethylamino)ethyl]benzonitrile
CID 54951278
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708669
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111641472
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708576
1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111641471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 81370767) is (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is COc1ccc([C@@H](C)NCCn2cccn2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is YURXFGZZSCGUIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(13-4-6-14(18-2)7-5-13)15-9-11-17-10-3-8-16-17/h3-8,10,12,15H,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 81370767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).