(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine

C11H12BrClN4 — CID 114658333

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1ccc(Cl)cn1
InChIInChI=1S/C11H12BrClN4/c1-2-17-11(8(12)6-16-17)10(14)9-4-3-7(13)5-15-9/h3-6,10H,2,14H2,1H3
InChIKeyGJSUFBSQNMDHLB-UHFFFAOYSA-N
MW315.60 g/mol
LogP2.76
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine (PubChem CID 114658333) has the molecular formula C11H12BrClN4 and a molecular weight of 315.60 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
PubChem CID114658333
Molecular FormulaC11H12BrClN4
Molecular Weight315.60 g/mol
Exact Mass313.99
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1ccc(Cl)cn1
InChIInChI=1S/C11H12BrClN4/c1-2-17-11(8(12)6-16-17)10(14)9-4-3-7(13)5-15-9/h3-6,10H,2,14H2,1H3
InChIKeyGJSUFBSQNMDHLB-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251541
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972
(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114644895
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine (CID 114658333) is (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine is CCn1ncc(Br)c1C(N)c1ccc(Cl)cn1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine?
The InChIKey is GJSUFBSQNMDHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4/c1-2-17-11(8(12)6-16-17)10(14)9-4-3-7(13)5-15-9/h3-6,10H,2,14H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine has a molecular weight of 315.60 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine is sourced from PubChem (CID 114658333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).