5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine

C14H11BrClN3OS — CID 63798640

IUPAC5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)n[nH]c1-c1sccc1Br
InChIInChI=1S/C14H11BrClN3OS/c1-20-10-3-2-7(16)6-8(10)11-12(18-19-14(11)17)13-9(15)4-5-21-13/h2-6H,1H3,(H3,17,18,19)
InChIKeyMSQFWNCHJHQERP-UHFFFAOYSA-N
MW384.69 g/mol
LogP4.81
Rot. Bonds3

About 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine

5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 63798640) has the molecular formula C14H11BrClN3OS and a molecular weight of 384.69 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID63798640
Molecular FormulaC14H11BrClN3OS
Molecular Weight384.69 g/mol
Exact Mass382.95
IUPAC Name5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)n[nH]c1-c1sccc1Br
InChIInChI=1S/C14H11BrClN3OS/c1-20-10-3-2-7(16)6-8(10)11-12(18-19-14(11)17)13-9(15)4-5-21-13/h2-6H,1H3,(H3,17,18,19)
InChIKeyMSQFWNCHJHQERP-UHFFFAOYSA-N
XLogP4.81
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.69
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 80644038
4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79691857
5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798819
5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798283
5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524690
4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001706
5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66199541
4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
CID 81122411
4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80644994
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63013480
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine (CID 63798640) is 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(Cl)cc1-c1c(N)n[nH]c1-c1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is MSQFWNCHJHQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3OS/c1-20-10-3-2-7(16)6-8(10)11-12(18-19-14(11)17)13-9(15)4-5-21-13/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine?
5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 384.69 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63798640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).