1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine

C15H19BrClN3O — CID 105183559

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine
SMILESCCCn1ncc(Br)c1C(COc1ccc(Cl)cc1)NC
InChIInChI=1S/C15H19BrClN3O/c1-3-8-20-15(13(16)9-19-20)14(18-2)10-21-12-6-4-11(17)5-7-12/h4-7,9,14,18H,3,8,10H2,1-2H3
InChIKeyVHUXZHRQMQVYJN-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.05
Rot. Bonds7

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine (PubChem CID 105183559) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine
PubChem CID105183559
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine
SMILESCCCn1ncc(Br)c1C(COc1ccc(Cl)cc1)NC
InChIInChI=1S/C15H19BrClN3O/c1-3-8-20-15(13(16)9-19-20)14(18-2)10-21-12-6-4-11(17)5-7-12/h4-7,9,14,18H,3,8,10H2,1-2H3
InChIKeyVHUXZHRQMQVYJN-UHFFFAOYSA-N
XLogP4.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)-N-methylethanamine
CID 114647359
1-(4-bromo-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660822
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648363
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105042630
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559845
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 114656117
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105336566
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105183576

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine (CID 105183559) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine is CCCn1ncc(Br)c1C(COc1ccc(Cl)cc1)NC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine?
The InChIKey is VHUXZHRQMQVYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-3-8-20-15(13(16)9-19-20)14(18-2)10-21-12-6-4-11(17)5-7-12/h4-7,9,14,18H,3,8,10H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine has a molecular weight of 372.69 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine is sourced from PubChem (CID 105183559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).