N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine

C10H12BrN3S — CID 43543293

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2cc(Br)cs2)cn1
InChIInChI=1S/C10H12BrN3S/c1-2-14-6-9(4-13-14)12-5-10-3-8(11)7-15-10/h3-4,6-7,12H,2,5H2,1H3
InChIKeyNIDYPASBUOTFJH-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.34
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine

N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine (PubChem CID 43543293) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine
PubChem CID43543293
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2cc(Br)cs2)cn1
InChIInChI=1S/C10H12BrN3S/c1-2-14-6-9(4-13-14)12-5-10-3-8(11)7-15-10/h3-4,6-7,12H,2,5H2,1H3
InChIKeyNIDYPASBUOTFJH-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine (CID 43543293) is N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine is CCn1cc(NCc2cc(Br)cs2)cn1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine?
The InChIKey is NIDYPASBUOTFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-2-14-6-9(4-13-14)12-5-10-3-8(11)7-15-10/h3-4,6-7,12H,2,5H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine has a molecular weight of 286.20 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43543293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).