(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

C12H13BrClN3 — CID 105046840

IUPAC(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCc1ccc(Br)c(C(N)c2c(Cl)cnn2C)c1
InChIInChI=1S/C12H13BrClN3/c1-7-3-4-9(13)8(5-7)11(15)12-10(14)6-16-17(12)2/h3-6,11H,15H2,1-2H3
InChIKeyBPEFBCDLKDLARC-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.19
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 105046840) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID105046840
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCc1ccc(Br)c(C(N)c2c(Cl)cnn2C)c1
InChIInChI=1S/C12H13BrClN3/c1-7-3-4-9(13)8(5-7)11(15)12-10(14)6-16-17(12)2/h3-6,11H,15H2,1-2H3
InChIKeyBPEFBCDLKDLARC-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114025423
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 105046611
2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041131
[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337238
(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114646653
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046832
1-(2-bromo-5-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041667
(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (CID 105046840) is (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is Cc1ccc(Br)c(C(N)c2c(Cl)cnn2C)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is BPEFBCDLKDLARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-7-3-4-9(13)8(5-7)11(15)12-10(14)6-16-17(12)2/h3-6,11H,15H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 314.61 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105046840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).