(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine

C10H11BrClN3S — CID 105040300

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1sccc1Cl
InChIInChI=1S/C10H11BrClN3S/c1-2-15-9(6(11)5-14-15)8(13)10-7(12)3-4-16-10/h3-5,8H,2,13H2,1H3
InChIKeyQZJFVLNDMWRHAH-UHFFFAOYSA-N
MW320.64 g/mol
LogP3.43
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine (PubChem CID 105040300) has the molecular formula C10H11BrClN3S and a molecular weight of 320.64 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
PubChem CID105040300
Molecular FormulaC10H11BrClN3S
Molecular Weight320.64 g/mol
Exact Mass318.95
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1sccc1Cl
InChIInChI=1S/C10H11BrClN3S/c1-2-15-9(6(11)5-14-15)8(13)10-7(12)3-4-16-10/h3-5,8H,2,13H2,1H3
InChIKeyQZJFVLNDMWRHAH-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
2-[5-[amino-(3-chlorothiophen-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041078
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105039974
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105040106
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105182878
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105040481
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658333
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910
[(3-chlorothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339350

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine (CID 105040300) is (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine is CCn1ncc(Br)c1C(N)c1sccc1Cl.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine?
The InChIKey is QZJFVLNDMWRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3S/c1-2-15-9(6(11)5-14-15)8(13)10-7(12)3-4-16-10/h3-5,8H,2,13H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine has a molecular weight of 320.64 g/mol, XLogP of 3.43, 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)-(3-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 105040300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).