1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine

C11H15BrN4S — CID 62139546

IUPAC1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine
SMILESCN(CCn1cc(N)cn1)Cc1csc(Br)c1
InChIInChI=1S/C11H15BrN4S/c1-15(6-9-4-11(12)17-8-9)2-3-16-7-10(13)5-14-16/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyMCUFATSHMVTZRQ-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.42
Rot. Bonds5

About 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine

1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine (PubChem CID 62139546) has the molecular formula C11H15BrN4S and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine
PubChem CID62139546
Molecular FormulaC11H15BrN4S
Molecular Weight315.24 g/mol
Exact Mass314.02
IUPAC Name1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine
SMILESCN(CCn1cc(N)cn1)Cc1csc(Br)c1
InChIInChI=1S/C11H15BrN4S/c1-15(6-9-4-11(12)17-8-9)2-3-16-7-10(13)5-14-16/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyMCUFATSHMVTZRQ-UHFFFAOYSA-N
XLogP2.42
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
1-[(5-Bromothiophen-3-yl)methyl]pyrazole
CID 131201578
1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazol-4-amine
CID 19626717
1,3-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 19626756
1,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 19626769
1-ethyl-N-[(thiophen-3-yl)methyl]-1H-pyrazol-4-amine
CID 19626782
1-ethyl-3-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 19626821
5-bromo-N-(1-methyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 32609166
5-bromo-N-(1-ethylpyrazol-4-yl)thiophene-3-carboxamide
CID 35280212
n-((5-Bromothiophen-3-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 43435001
1-(1h-Pyrazol-1-yl)-N-(thiophen-3-ylmethyl)propan-2-amine
CID 43435096
2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43527847

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine (CID 62139546) is 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine is CN(CCn1cc(N)cn1)Cc1csc(Br)c1.
What is the InChIKey of 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine?
The InChIKey is MCUFATSHMVTZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4S/c1-15(6-9-4-11(12)17-8-9)2-3-16-7-10(13)5-14-16/h4-5,7-8H,2-3,6,13H2,1H3.
What are the key properties of 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine?
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine has a molecular weight of 315.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine is sourced from PubChem (CID 62139546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).