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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 2517659
N-(2-Thienylmethyl)-1H-pyrazol-3-amine
CID 67516220
1-[(5-bromothiophen-2-yl)methyl]-1H-pyrazol-5-amine
CID 2474178
1-((4-bromothiophen-2-yl)methyl)-1H-pyrazol-5-amine
CID 2526140
N-[2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681339
1-(1-thien-2-ylethyl)-1H-pyrazol-5-amine
CID 3154158
2-(4-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631284
N-[(4-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62566023
N-[(4-bromothiophen-2-yl)methyl]-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 64177318
N-[(3-bromothiophen-2-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 86793042
1-(2,2-difluoroethyl)-N-(thiophen-2-ylmethyl)pyrazol-3-amine
CID 115698089
N-[(5-fluorothiophen-2-yl)methyl]-1,4-dimethyl-1H-pyrazol-3-amine
CID 122165714

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).