N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine

C15H20ClN3O — CID 61491520

IUPACN-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1OCCn1cccn1
InChIInChI=1S/C15H20ClN3O/c1-2-6-17-12-13-11-14(16)4-5-15(13)20-10-9-19-8-3-7-18-19/h3-5,7-8,11,17H,2,6,9-10,12H2,1H3
InChIKeyLHJJSWISJZBWFZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.12
Rot. Bonds8

About N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine

N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 61491520) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
PubChem CID61491520
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1OCCn1cccn1
InChIInChI=1S/C15H20ClN3O/c1-2-6-17-12-13-11-14(16)4-5-15(13)20-10-9-19-8-3-7-18-19/h3-5,7-8,11,17H,2,6,9-10,12H2,1H3
InChIKeyLHJJSWISJZBWFZ-UHFFFAOYSA-N
XLogP3.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491744
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 61491521
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
CID 54961991
N-[[5-bromo-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63058034
4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79360985
N-[(5-bromo-2-propoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592081
N-[[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 43278002
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
N-[[5-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66140107

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine (CID 61491520) is N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)ccc1OCCn1cccn1.
What is the InChIKey of N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is LHJJSWISJZBWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-2-6-17-12-13-11-14(16)4-5-15(13)20-10-9-19-8-3-7-18-19/h3-5,7-8,11,17H,2,6,9-10,12H2,1H3.
What are the key properties of N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 293.80 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61491520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).