(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

C14H17BrClN3O — CID 105048875

IUPAC(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H17BrClN3O/c1-3-6-19-14(12(20-2)8-18-19)13(17)9-4-5-10(15)11(16)7-9/h4-5,7-8,13H,3,6,17H2,1-2H3
InChIKeyQINKEJWATGZMDM-UHFFFAOYSA-N
MW358.67 g/mol
LogP3.77
Rot. Bonds5

About (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 105048875) has the molecular formula C14H17BrClN3O and a molecular weight of 358.67 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID105048875
Molecular FormulaC14H17BrClN3O
Molecular Weight358.67 g/mol
Exact Mass357.02
IUPAC Name(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H17BrClN3O/c1-3-6-19-14(12(20-2)8-18-19)13(17)9-4-5-10(15)11(16)7-9/h4-5,7-8,13H,3,6,17H2,1-2H3
InChIKeyQINKEJWATGZMDM-UHFFFAOYSA-N
XLogP3.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048739
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120
(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659181
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
N-[(4-bromo-3-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047345
[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337224
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114649071
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 105048875) is (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is QINKEJWATGZMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O/c1-3-6-19-14(12(20-2)8-18-19)13(17)9-4-5-10(15)11(16)7-9/h4-5,7-8,13H,3,6,17H2,1-2H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 358.67 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105048875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).