1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine

C14H18ClN3O — CID 116792891

IUPAC1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cnn(C)c2)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-4-16-10(2)13-6-5-11(7-14(13)15)19-12-8-17-18(3)9-12/h5-10,16H,4H2,1-3H3
InChIKeyXWAHTYQLWJRHQY-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.54
Rot. Bonds5

About 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine

1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine (PubChem CID 116792891) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine
PubChem CID116792891
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cnn(C)c2)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-4-16-10(2)13-6-5-11(7-14(13)15)19-12-8-17-18(3)9-12/h5-10,16H,4H2,1-3H3
InChIKeyXWAHTYQLWJRHQY-UHFFFAOYSA-N
XLogP3.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-ethylethanamine
CID 106597433
1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202259
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
CID 64721082
(1S)-1-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 28600399
1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202367
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanone
CID 116792877
1-[4-bromo-2-(3,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 82956082
N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
CID 116792890
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine (CID 116792891) is 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2cnn(C)c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine?
The InChIKey is XWAHTYQLWJRHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-4-16-10(2)13-6-5-11(7-14(13)15)19-12-8-17-18(3)9-12/h5-10,16H,4H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine?
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 116792891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).