2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine

C14H19N3O — CID 60874221

IUPAC2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCc1cnn(CCOc2ccc(CCN)cc2)c1
InChIInChI=1S/C14H19N3O/c1-12-10-16-17(11-12)8-9-18-14-4-2-13(3-5-14)6-7-15/h2-5,10-11H,6-9,15H2,1H3
InChIKeyUORVSSHKWDDOQV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.77
Rot. Bonds6

About 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine

2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 60874221) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
PubChem CID60874221
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCc1cnn(CCOc2ccc(CCN)cc2)c1
InChIInChI=1S/C14H19N3O/c1-12-10-16-17(11-12)8-9-18-14-4-2-13(3-5-14)6-7-15/h2-5,10-11H,6-9,15H2,1H3
InChIKeyUORVSSHKWDDOQV-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447638
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole
CID 114279121
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-(4-methylpyrazol-1-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 56780994
2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine
CID 62139987
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
ethyl 1-[2-(4-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81498880

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine (CID 60874221) is 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine is Cc1cnn(CCOc2ccc(CCN)cc2)c1.
What is the InChIKey of 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is UORVSSHKWDDOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12-10-16-17(11-12)8-9-18-14-4-2-13(3-5-14)6-7-15/h2-5,10-11H,6-9,15H2,1H3.
What are the key properties of 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine?
2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 60874221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).