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

C14H11Br2N3OS — CID 80534161

IUPAC5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2-c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C14H11Br2N3OS/c1-20-8-4-2-3-7(5-8)11-12(18-19-14(11)17)10-6-9(15)13(16)21-10/h2-6H,1H3,(H3,17,18,19)
InChIKeyPROCFPICWGNVME-UHFFFAOYSA-N
MW429.14 g/mol
LogP4.92
Rot. Bonds3

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

5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 80534161) has the molecular formula C14H11Br2N3OS and a molecular weight of 429.14 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID80534161
Molecular FormulaC14H11Br2N3OS
Molecular Weight429.14 g/mol
Exact Mass426.90
IUPAC Name5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2-c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C14H11Br2N3OS/c1-20-8-4-2-3-7(5-8)11-12(18-19-14(11)17)10-6-9(15)13(16)21-10/h2-6H,1H3,(H3,17,18,19)
InChIKeyPROCFPICWGNVME-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-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80644815
5-(5-fluoro-3-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104785968
5-(5-fluoro-2-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104638670
4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 43561020
5-(4,5-dibromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 80535112
4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine
CID 66477859
5-(4,5-dimethylthiophen-2-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 65238708
3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile
CID 69465742
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 80536627
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine (CID 80534161) is 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine is COc1cccc(-c2c(N)n[nH]c2-c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is PROCFPICWGNVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3OS/c1-20-8-4-2-3-7(5-8)11-12(18-19-14(11)17)10-6-9(15)13(16)21-10/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
5-(4,5-dibromothiophen-2-yl)-4-(3-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-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 80534161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).