1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

C15H20ClN3O — CID 114648398

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1c(Cl)cnn1C
InChIInChI=1S/C15H20ClN3O/c1-4-17-14(15-13(16)10-18-19(15)2)9-11-5-7-12(20-3)8-6-11/h5-8,10,14,17H,4,9H2,1-3H3
InChIKeyJAEUDLGXZYLDNQ-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.98
Rot. Bonds6

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (PubChem CID 114648398) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
PubChem CID114648398
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1c(Cl)cnn1C
InChIInChI=1S/C15H20ClN3O/c1-4-17-14(15-13(16)10-18-19(15)2)9-11-5-7-12(20-3)8-6-11/h5-8,10,14,17H,4,9H2,1-3H3
InChIKeyJAEUDLGXZYLDNQ-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648390
2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114648016
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
CID 114655981
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648370
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114658220
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647431
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 114658003
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (CID 114648398) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is CCNC(Cc1ccc(OC)cc1)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is JAEUDLGXZYLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-17-14(15-13(16)10-18-19(15)2)9-11-5-7-12(20-3)8-6-11/h5-8,10,14,17H,4,9H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 114648398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).