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

C10H10BrF2N3S — CID 71850617

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2cc(Br)cs2)n1
InChIInChI=1S/C10H10BrF2N3S/c11-7-3-8(17-6-7)4-14-10-1-2-16(15-10)5-9(12)13/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyNMCOLFTXULLESQ-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.58
Rot. Bonds5

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

N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine (PubChem CID 71850617) has the molecular formula C10H10BrF2N3S and a molecular weight of 322.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
PubChem CID71850617
Molecular FormulaC10H10BrF2N3S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2cc(Br)cs2)n1
InChIInChI=1S/C10H10BrF2N3S/c11-7-3-8(17-6-7)4-14-10-1-2-16(15-10)5-9(12)13/h1-3,6,9H,4-5H2,(H,14,15)
InChIKeyNMCOLFTXULLESQ-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine (CID 71850617) is N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine is FC(F)Cn1ccc(NCc2cc(Br)cs2)n1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine?
The InChIKey is NMCOLFTXULLESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3S/c11-7-3-8(17-6-7)4-14-10-1-2-16(15-10)5-9(12)13/h1-3,6,9H,4-5H2,(H,14,15).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-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-[(4-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 71850617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).