(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

C11H9BrClF2N3 — CID 105046832

IUPAC(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H9BrClF2N3/c1-18-11(6(13)4-17-18)10(16)9-7(14)2-5(12)3-8(9)15/h2-4,10H,16H2,1H3
InChIKeyPAEFEMXEZKIWTN-UHFFFAOYSA-N
MW336.57 g/mol
LogP3.16
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 105046832) has the molecular formula C11H9BrClF2N3 and a molecular weight of 336.57 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID105046832
Molecular FormulaC11H9BrClF2N3
Molecular Weight336.57 g/mol
Exact Mass334.96
IUPAC Name(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H9BrClF2N3/c1-18-11(6(13)4-17-18)10(16)9-7(14)2-5(12)3-8(9)15/h2-4,10H,16H2,1H3
InChIKeyPAEFEMXEZKIWTN-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(3-bromophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114646653
(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
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
1-(4-bromo-2,6-difluorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042724
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839349
(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483678
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (CID 105046832) is (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Cl)c1C(N)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is PAEFEMXEZKIWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClF2N3/c1-18-11(6(13)4-17-18)10(16)9-7(14)2-5(12)3-8(9)15/h2-4,10H,16H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 336.57 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105046832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).