1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine

C15H19BrClN3O — CID 105042556

IUPAC1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)c1ccc(Br)cc1OC
InChIInChI=1S/C15H19BrClN3O/c1-4-7-20-15(12(17)9-19-20)14(18-2)11-6-5-10(16)8-13(11)21-3/h5-6,8-9,14,18H,4,7H2,1-3H3
InChIKeySQUUIYLJMZIFSD-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine

1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105042556) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105042556
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)c1ccc(Br)cc1OC
InChIInChI=1S/C15H19BrClN3O/c1-4-7-20-15(12(17)9-19-20)14(18-2)11-6-5-10(16)8-13(11)21-3/h5-6,8-9,14,18H,4,7H2,1-3H3
InChIKeySQUUIYLJMZIFSD-UHFFFAOYSA-N
XLogP4.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041705
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 105040438
1-(2-bromo-4-methylphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042561
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048863
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105042594
1-(5-bromo-2-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048031
1-(2-chloro-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114650267
1-(4-bromo-2,6-difluorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042724
[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337224
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048904
4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
CID 105263508
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105042630

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine (CID 105042556) is 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine is CCCn1ncc(Cl)c1C(NC)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is SQUUIYLJMZIFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-4-7-20-15(12(17)9-19-20)14(18-2)11-6-5-10(16)8-13(11)21-3/h5-6,8-9,14,18H,4,7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine?
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 372.69 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105042556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).