5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine

C14H11Br2N3OS — CID 107962588

IUPAC5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccccc1-c1c(N)n[nH]c1-c1cc(Br)sc1Br
InChIInChI=1S/C14H11Br2N3OS/c1-20-9-5-3-2-4-7(9)11-12(18-19-14(11)17)8-6-10(15)21-13(8)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyMLRNLPYLVRZXIE-UHFFFAOYSA-N
MW429.14 g/mol
LogP4.92
Rot. Bonds3

About 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine

5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 107962588) has the molecular formula C14H11Br2N3OS and a molecular weight of 429.14 g/mol. Its IUPAC name is 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID107962588
Molecular FormulaC14H11Br2N3OS
Molecular Weight429.14 g/mol
Exact Mass426.90
IUPAC Name5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccccc1-c1c(N)n[nH]c1-c1cc(Br)sc1Br
InChIInChI=1S/C14H11Br2N3OS/c1-20-9-5-3-2-4-7(9)11-12(18-19-14(11)17)8-6-10(15)21-13(8)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyMLRNLPYLVRZXIE-UHFFFAOYSA-N
XLogP4.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.14
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107962560
3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687
5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 115369369
5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 106854526
5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
CID 62829642
5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 63798640
5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80534161
4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 62829467
4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826092
5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 103163957
6-(2-methoxyphenyl)-1H-indazol-3-amine
CID 11694382
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 62829643

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine (CID 107962588) is 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccccc1-c1c(N)n[nH]c1-c1cc(Br)sc1Br.
What is the InChIKey of 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is MLRNLPYLVRZXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3OS/c1-20-9-5-3-2-4-7(9)11-12(18-19-14(11)17)8-6-10(15)21-13(8)16/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine?
5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 429.14 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107962588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).