[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine

C15H20ClN3O — CID 62130694

IUPAC[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine
SMILESCc1nn(CCCOc2cccc(CN)c2)c(C)c1Cl
InChIInChI=1S/C15H20ClN3O/c1-11-15(16)12(2)19(18-11)7-4-8-20-14-6-3-5-13(9-14)10-17/h3,5-6,9H,4,7-8,10,17H2,1-2H3
InChIKeyRVXPMAOVXHXAIJ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.08
Rot. Bonds6

About [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine

[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine (PubChem CID 62130694) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine
PubChem CID62130694
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine
SMILESCc1nn(CCCOc2cccc(CN)c2)c(C)c1Cl
InChIInChI=1S/C15H20ClN3O/c1-11-15(16)12(2)19(18-11)7-4-8-20-14-6-3-5-13(9-14)10-17/h3,5-6,9H,4,7-8,10,17H2,1-2H3
InChIKeyRVXPMAOVXHXAIJ-UHFFFAOYSA-N
XLogP3.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.08
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

3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]aniline
CID 62128994
[3-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 22683215
[3-[3-(1,2,4-triazol-1-yl)propoxy]phenyl]methanamine;hydrochloride
CID 66769156
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole
CID 62129029
[3-[3-(2-chloro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 43531016
N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine
CID 62442521
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
[3-[3-[3-(aminomethyl)phenoxy]propoxy]-1,2,4-triazol-1-yl]thallium
CID 154555049
1-[3-[3-(aminomethyl)phenoxy]propyl]-3-propylimidazol-2-one
CID 80579823
[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine
CID 114462596
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine (CID 62130694) is [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine is Cc1nn(CCCOc2cccc(CN)c2)c(C)c1Cl.
What is the InChIKey of [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The InChIKey is RVXPMAOVXHXAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11-15(16)12(2)19(18-11)7-4-8-20-14-6-3-5-13(9-14)10-17/h3,5-6,9H,4,7-8,10,17H2,1-2H3.
What are the key properties of [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine?
[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine has a molecular weight of 293.80 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 62130694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).