(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine

C14H18BrN3O — CID 105148079

IUPAC(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cc(OC)ccc1Br
InChIInChI=1S/C14H18BrN3O/c1-3-8-18-13(6-7-17-18)14(16)11-9-10(19-2)4-5-12(11)15/h4-7,9,14H,3,8,16H2,1-2H3
InChIKeyLNALAAHZOIFNQL-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.11
Rot. Bonds5

About (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine

(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 105148079) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID105148079
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cc(OC)ccc1Br
InChIInChI=1S/C14H18BrN3O/c1-3-8-18-13(6-7-17-18)14(16)11-9-10(19-2)4-5-12(11)15/h4-7,9,14H,3,8,16H2,1-2H3
InChIKeyLNALAAHZOIFNQL-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307040
(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148609
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663
1-(2-bromo-5-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105162566
[(2,5-dimethoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306911
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038798

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine (CID 105148079) is (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1cc(OC)ccc1Br.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is LNALAAHZOIFNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-8-18-13(6-7-17-18)14(16)11-9-10(19-2)4-5-12(11)15/h4-7,9,14H,3,8,16H2,1-2H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine?
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 324.22 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105148079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).