1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

C14H20BrN3S — CID 105041323

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCCn1ncc(Br)c1C(NC)c1ccc(CC)s1
InChIInChI=1S/C14H20BrN3S/c1-4-8-18-14(11(15)9-17-18)13(16-3)12-7-6-10(5-2)19-12/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyXMCMXZXYQWCLJO-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 105041323) has the molecular formula C14H20BrN3S and a molecular weight of 342.31 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID105041323
Molecular FormulaC14H20BrN3S
Molecular Weight342.31 g/mol
Exact Mass341.06
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCCn1ncc(Br)c1C(NC)c1ccc(CC)s1
InChIInChI=1S/C14H20BrN3S/c1-4-8-18-14(11(15)9-17-18)13(16-3)12-7-6-10(5-2)19-12/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyXMCMXZXYQWCLJO-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107977501
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849013
1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047071
(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
CID 105054323
1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105183464
1-(5-bromo-2-methylphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041545
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105041368
1-(1-benzothiophen-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041383
1-(3-bromo-4-methoxyphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041426
[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105336675
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
CID 105041511
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 105041198

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (CID 105041323) is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is CCCn1ncc(Br)c1C(NC)c1ccc(CC)s1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is XMCMXZXYQWCLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3S/c1-4-8-18-14(11(15)9-17-18)13(16-3)12-7-6-10(5-2)19-12/h6-7,9,13,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 342.31 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105041323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).