N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine

C14H19N3O — CID 54962036

IUPACN-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C14H19N3O/c1-2-15-12-13-5-3-6-14(11-13)18-10-9-17-8-4-7-16-17/h3-8,11,15H,2,9-10,12H2,1H3
InChIKeyNFUHJDPGMMBWHT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.07
Rot. Bonds7

About N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine

N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 54962036) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
PubChem CID54962036
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C14H19N3O/c1-2-15-12-13-5-3-6-14(11-13)18-10-9-17-8-4-7-16-17/h3-8,11,15H,2,9-10,12H2,1H3
InChIKeyNFUHJDPGMMBWHT-UHFFFAOYSA-N
XLogP2.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 107686809
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-[2-(1-ethylpyrazol-4-yl)oxyethoxy]phenyl]methyl]ethanamine
CID 116803276
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 55110916
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294
N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 115562202
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine (CID 54962036) is N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OCCn2cccn2)c1.
What is the InChIKey of N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is NFUHJDPGMMBWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-15-12-13-5-3-6-14(11-13)18-10-9-17-8-4-7-16-17/h3-8,11,15H,2,9-10,12H2,1H3.
What are the key properties of N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine?
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54962036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).