4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine

C10H12BrN3S — CID 61176947

IUPAC4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine
SMILESCCc1ccc(Cn2cc(Br)c(N)n2)s1
InChIInChI=1S/C10H12BrN3S/c1-2-7-3-4-8(15-7)5-14-6-9(11)10(12)13-14/h3-4,6H,2,5H2,1H3,(H2,12,13)
InChIKeyVHLKXVIQFVBGMW-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.90
Rot. Bonds3

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

4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine (PubChem CID 61176947) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine
PubChem CID61176947
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine
SMILESCCc1ccc(Cn2cc(Br)c(N)n2)s1
InChIInChI=1S/C10H12BrN3S/c1-2-7-3-4-8(15-7)5-14-6-9(11)10(12)13-14/h3-4,6H,2,5H2,1H3,(H2,12,13)
InChIKeyVHLKXVIQFVBGMW-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 2517659
1-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-5-amine
CID 2535078
1-[(5-bromothiophen-2-yl)methyl]-1H-pyrazol-5-amine
CID 2474178
1-((4-bromothiophen-2-yl)methyl)-1H-pyrazol-5-amine
CID 2526140
1-(1-thien-2-ylethyl)-1H-pyrazol-5-amine
CID 3154158
N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 71850617
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[(5-ethyl-2-thienyl)methyl]ethanamine
CID 131928446
N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethyl-1H-pyrazol-3-amine
CID 122165714
1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1H-pyrazol-3-amine
CID 122165715
N-[(5-fluorothiophen-2-yl)methyl]-1-propyl-1H-pyrazol-3-amine
CID 122165717
N-[(5-fluorothiophen-2-yl)methyl]-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 122165718
N-[(5-fluorothiophen-2-yl)methyl]-4-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 122165724

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine (CID 61176947) is 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine is CCc1ccc(Cn2cc(Br)c(N)n2)s1.
What is the InChIKey of 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine?
The InChIKey is VHLKXVIQFVBGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-2-7-3-4-8(15-7)5-14-6-9(11)10(12)13-14/h3-4,6H,2,5H2,1H3,(H2,12,13).
What are the key properties of 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine?
4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine has a molecular weight of 286.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 61176947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).