1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine

C14H18ClN3O — CID 114662146

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
SMILESCCn1ncc(Cl)c1C(N)C(OC)c1ccccc1
InChIInChI=1S/C14H18ClN3O/c1-3-18-13(11(15)9-17-18)12(16)14(19-2)10-7-5-4-6-8-10/h4-9,12,14H,3,16H2,1-2H3
InChIKeyGBPXMQGFFSBPKY-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.94
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine (PubChem CID 114662146) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
PubChem CID114662146
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
SMILESCCn1ncc(Cl)c1C(N)C(OC)c1ccccc1
InChIInChI=1S/C14H18ClN3O/c1-3-18-13(11(15)9-17-18)12(16)14(19-2)10-7-5-4-6-8-10/h4-9,12,14H,3,16H2,1-2H3
InChIKeyGBPXMQGFFSBPKY-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645960
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
CID 114661186
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-phenylethanamine
CID 114662162
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
CID 114660378
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645963
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
CID 114650869
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114646443
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648348
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105040745

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine (CID 114662146) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine is CCn1ncc(Cl)c1C(N)C(OC)c1ccccc1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine?
The InChIKey is GBPXMQGFFSBPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-18-13(11(15)9-17-18)12(16)14(19-2)10-7-5-4-6-8-10/h4-9,12,14H,3,16H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine is sourced from PubChem (CID 114662146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).