(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

C11H11BrClN3 — CID 114646653

IUPAC(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1cccc(Br)c1
InChIInChI=1S/C11H11BrClN3/c1-16-11(9(13)6-15-16)10(14)7-3-2-4-8(12)5-7/h2-6,10H,14H2,1H3
InChIKeyKBGYDTNDKBSONO-UHFFFAOYSA-N
MW300.59 g/mol
LogP2.88
Rot. Bonds2

About (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 114646653) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID114646653
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1cccc(Br)c1
InChIInChI=1S/C11H11BrClN3/c1-16-11(9(13)6-15-16)10(14)7-3-2-4-8(12)5-7/h2-6,10H,14H2,1H3
InChIKeyKBGYDTNDKBSONO-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
2-(3-bromophenyl)sulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethanamine
CID 114656341
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046832
(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114025423
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114648016
1-(3-bromophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114647378
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
2-[5-[amino-(3-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114646504

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (CID 114646653) is (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Cl)c1C(N)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is KBGYDTNDKBSONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-16-11(9(13)6-15-16)10(14)7-3-2-4-8(12)5-7/h2-6,10H,14H2,1H3.
What are the key properties of (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 300.59 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114646653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).