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

C14H21BrN4S — CID 60931810

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCc2csc(Br)c2)cn1
InChIInChI=1S/C14H21BrN4S/c1-3-18(4-2)5-6-19-10-13(9-17-19)16-8-12-7-14(15)20-11-12/h7,9-11,16H,3-6,8H2,1-2H3
InChIKeyHSKWDYQBHFRROJ-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.66
Rot. Bonds8

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

N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine (PubChem CID 60931810) has the molecular formula C14H21BrN4S and a molecular weight of 357.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine
PubChem CID60931810
Molecular FormulaC14H21BrN4S
Molecular Weight357.32 g/mol
Exact Mass356.07
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCc2csc(Br)c2)cn1
InChIInChI=1S/C14H21BrN4S/c1-3-18(4-2)5-6-19-10-13(9-17-19)16-8-12-7-14(15)20-11-12/h7,9-11,16H,3-6,8H2,1-2H3
InChIKeyHSKWDYQBHFRROJ-UHFFFAOYSA-N
XLogP3.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.66
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
N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528121

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine (CID 60931810) is N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine is CCN(CC)CCn1cc(NCc2csc(Br)c2)cn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine?
The InChIKey is HSKWDYQBHFRROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4S/c1-3-18(4-2)5-6-19-10-13(9-17-19)16-8-12-7-14(15)20-11-12/h7,9-11,16H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine?
N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine has a molecular weight of 357.32 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine is sourced from PubChem (CID 60931810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).