2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine

C17H25N3O — CID 28910618

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
SMILESCc1ccccc1OCCN(C)CCc1c(C)n[nH]c1C
InChIInChI=1S/C17H25N3O/c1-13-7-5-6-8-17(13)21-12-11-20(4)10-9-16-14(2)18-19-15(16)3/h5-8H,9-12H2,1-4H3,(H,18,19)
InChIKeyZWLWGPHRPCTMFH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.89
Rot. Bonds7

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine (PubChem CID 28910618) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
PubChem CID28910618
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
SMILESCc1ccccc1OCCN(C)CCc1c(C)n[nH]c1C
InChIInChI=1S/C17H25N3O/c1-13-7-5-6-8-17(13)21-12-11-20(4)10-9-16-14(2)18-19-15(16)3/h5-8H,9-12H2,1-4H3,(H,18,19)
InChIKeyZWLWGPHRPCTMFH-UHFFFAOYSA-N
XLogP2.89
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
CID 879148
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpropan-1-amine
CID 118794146
4-[4-(2-methoxyphenoxy)butyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332795
2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine
CID 171833567
4-[4-(2-tert-butylphenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2304782
4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol
CID 111488563
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 171321207
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
6-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-1H-pyrimidine-2,4-dione
CID 51073803
N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]pyridin-2-amine
CID 133313504
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyridin-2-ylacetamide
CID 77085816
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide
CID 77093849

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine (CID 28910618) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine is Cc1ccccc1OCCN(C)CCc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine?
The InChIKey is ZWLWGPHRPCTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-7-5-6-8-17(13)21-12-11-20(4)10-9-16-14(2)18-19-15(16)3/h5-8H,9-12H2,1-4H3,(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 28910618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).