N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine

C16H24BrN3S — CID 105041390

IUPACN-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1CC)c1c(Br)cnn1CCC
InChIInChI=1S/C16H24BrN3S/c1-4-8-18-14(16-12(6-3)7-10-21-16)15-13(17)11-19-20(15)9-5-2/h7,10-11,14,18H,4-6,8-9H2,1-3H3
InChIKeyDGKXEJLKNMFXOY-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.77
Rot. Bonds8

About N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine

N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 105041390) has the molecular formula C16H24BrN3S and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID105041390
Molecular FormulaC16H24BrN3S
Molecular Weight370.36 g/mol
Exact Mass369.09
IUPAC NameN-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1CC)c1c(Br)cnn1CCC
InChIInChI=1S/C16H24BrN3S/c1-4-8-18-14(16-12(6-3)7-10-21-16)15-13(17)11-19-20(15)9-5-2/h7,10-11,14,18H,4-6,8-9H2,1-3H3
InChIKeyDGKXEJLKNMFXOY-UHFFFAOYSA-N
XLogP4.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 105054059
N-[(4-bromo-1-propylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114654562
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 105041198
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105183524
N-[(3-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857450
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105183476
N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
N-[(4-bromo-1-propylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105183497
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 114660062
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine (CID 105041390) is N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1CC)c1c(Br)cnn1CCC.
What is the InChIKey of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is DGKXEJLKNMFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3S/c1-4-8-18-14(16-12(6-3)7-10-21-16)15-13(17)11-19-20(15)9-5-2/h7,10-11,14,18H,4-6,8-9H2,1-3H3.
What are the key properties of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 370.36 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105041390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).