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

C14H18BrN3 — CID 114024209

IUPAC(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cccc(C)c1Br
InChIInChI=1S/C14H18BrN3/c1-3-9-18-12(7-8-17-18)14(16)11-6-4-5-10(2)13(11)15/h4-8,14H,3,9,16H2,1-2H3
InChIKeyCMORERINBUTHOG-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.41
Rot. Bonds4

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

(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 114024209) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID114024209
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cccc(C)c1Br
InChIInChI=1S/C14H18BrN3/c1-3-9-18-12(7-8-17-18)14(16)11-6-4-5-10(2)13(11)15/h4-8,14H,3,9,16H2,1-2H3
InChIKeyCMORERINBUTHOG-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

(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
(6-methyl-2-pyridinyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974068
[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
CID 114277789
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 114104356
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 107984980
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanamine
CID 63976573
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine (CID 114024209) is (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1cccc(C)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is CMORERINBUTHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-9-18-12(7-8-17-18)14(16)11-6-4-5-10(2)13(11)15/h4-8,14H,3,9,16H2,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine?
(2-bromo-3-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 (2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114024209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).