N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine

C10H10BrF2N3S — CID 86793042

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESFC(F)Cn1cc(NCc2sccc2Br)cn1
InChIInChI=1S/C10H10BrF2N3S/c11-8-1-2-17-9(8)4-14-7-3-15-16(5-7)6-10(12)13/h1-3,5,10,14H,4,6H2
InChIKeyIMHLEJXKMVDUCF-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.58
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine

N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine (PubChem CID 86793042) has the molecular formula C10H10BrF2N3S and a molecular weight of 322.18 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
PubChem CID86793042
Molecular FormulaC10H10BrF2N3S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESFC(F)Cn1cc(NCc2sccc2Br)cn1
InChIInChI=1S/C10H10BrF2N3S/c11-8-1-2-17-9(8)4-14-7-3-15-16(5-7)6-10(12)13/h1-3,5,10,14H,4,6H2
InChIKeyIMHLEJXKMVDUCF-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrazol-1-yl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 53620199
N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 71850617
N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52218383
1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 55088562
1-[(4-Bromothiophen-2-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 55207856
1-Thiophen-2-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631233
2-(4-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631284
2-(5-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631329
1-(4-Bromothiophen-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 61631330
2-(5-Methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631473
1-(5-Bromothiophen-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631520
1-(4-Bromothiophen-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631521

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine (CID 86793042) is N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine is FC(F)Cn1cc(NCc2sccc2Br)cn1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
The InChIKey is IMHLEJXKMVDUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3S/c11-8-1-2-17-9(8)4-14-7-3-15-16(5-7)6-10(12)13/h1-3,5,10,14H,4,6H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine?
N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine has a molecular weight of 322.18 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 86793042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).