4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine

C9H10BrN3S — CID 116825997

IUPAC4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c(-c2cccs2)c1Br
InChIInChI=1S/C9H10BrN3S/c1-13(2)9-7(10)8(11-12-9)6-4-3-5-14-6/h3-5H,1-2H3,(H,11,12)
InChIKeyPLOBDTPWEQIQFO-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.97
Rot. Bonds2

About 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine

4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 116825997) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID116825997
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c(-c2cccs2)c1Br
InChIInChI=1S/C9H10BrN3S/c1-13(2)9-7(10)8(11-12-9)6-4-3-5-14-6/h3-5H,1-2H3,(H,11,12)
InChIKeyPLOBDTPWEQIQFO-UHFFFAOYSA-N
XLogP2.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-bromo-5-thiophen-2-yl-1H-pyrazol-3-yl)-methylamino]-4-pyridinyl]-3-methylbenzonitrile
CID 68626115
4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine
CID 136995808
N-ethyl-4-methyl-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63047438
2-bromo-5-thiophen-2-ylpyrimidine
CID 66520182
2-(3-amino-5-thiophen-2-yl-1H-pyrazol-4-yl)-N-methylacetamide
CID 99992879
4-(dimethylamino)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 83018416
1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine
CID 63042706
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 61496475
N,N-dimethyl-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)aniline
CID 712255
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726258

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 116825997) is 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine is CN(C)c1n[nH]c(-c2cccs2)c1Br.
What is the InChIKey of 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is PLOBDTPWEQIQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-13(2)9-7(10)8(11-12-9)6-4-3-5-14-6/h3-5H,1-2H3,(H,11,12).
What are the key properties of 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine?
4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 272.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethyl-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 116825997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).