2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine

C16H22ClN3O — CID 114647361

IUPAC2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
SMILESCCCn1ncc(OC)c1C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C16H22ClN3O/c1-4-9-20-16(15(21-3)11-19-20)14(18-2)10-12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyMRPCDYSWZWAOCI-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.46
Rot. Bonds7

About 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine

2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine (PubChem CID 114647361) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
PubChem CID114647361
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
SMILESCCCn1ncc(OC)c1C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C16H22ClN3O/c1-4-9-20-16(15(21-3)11-19-20)14(18-2)10-12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyMRPCDYSWZWAOCI-UHFFFAOYSA-N
XLogP3.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114648297
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
[1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195259
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)-N-methylethanamine
CID 114647359
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649115
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048863
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105187077
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
1-(5-chlorofuran-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 106693264

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine (CID 114647361) is 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine is CCCn1ncc(OC)c1C(Cc1ccc(Cl)cc1)NC.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is MRPCDYSWZWAOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-9-20-16(15(21-3)11-19-20)14(18-2)10-12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 307.82 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 114647361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).