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

C14H18BrN3 — CID 115857762

IUPAC(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cc(Br)ccc1C
InChIInChI=1S/C14H18BrN3/c1-3-8-18-13(6-7-17-18)14(16)12-9-11(15)5-4-10(12)2/h4-7,9,14H,3,8,16H2,1-2H3
InChIKeyHTDUHROYBDLMJJ-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.41
Rot. Bonds4

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

(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 115857762) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID115857762
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cc(Br)ccc1C
InChIInChI=1S/C14H18BrN3/c1-3-8-18-13(6-7-17-18)14(16)12-9-11(15)5-4-10(12)2/h4-7,9,14H,3,8,16H2,1-2H3
InChIKeyHTDUHROYBDLMJJ-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857773
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 114104356

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine (CID 115857762) is (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1cc(Br)ccc1C.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is HTDUHROYBDLMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-8-18-13(6-7-17-18)14(16)12-9-11(15)5-4-10(12)2/h4-7,9,14H,3,8,16H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine?
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 308.22 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115857762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).