5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine

C14H12BrN3S — CID 107962702

IUPAC5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2csc(Br)c2)cc1
InChIInChI=1S/C14H12BrN3S/c1-8-2-4-9(5-3-8)12-13(17-18-14(12)16)10-6-11(15)19-7-10/h2-7H,1H3,(H3,16,17,18)
InChIKeyNMNRFZYFABTUSR-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.46
Rot. Bonds2

About 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine

5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 107962702) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID107962702
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2c(N)n[nH]c2-c2csc(Br)c2)cc1
InChIInChI=1S/C14H12BrN3S/c1-8-2-4-9(5-3-8)12-13(17-18-14(12)16)10-6-11(15)19-7-10/h2-7H,1H3,(H3,16,17,18)
InChIKeyNMNRFZYFABTUSR-UHFFFAOYSA-N
XLogP4.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzodioxol-5-yl)-5-(5-bromothiophen-3-yl)-1H-pyrazol-3-amine
CID 107962597
5-(5-iodothiophen-3-yl)-4-(4-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 79691861
5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104853091
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830309
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 79691856
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
4,5-dipyridin-4-yl-1H-pyrazol-3-amine
CID 80524588
5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 103402151
5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524485

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (CID 107962702) is 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2c(N)n[nH]c2-c2csc(Br)c2)cc1.
What is the InChIKey of 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is NMNRFZYFABTUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-8-2-4-9(5-3-8)12-13(17-18-14(12)16)10-6-11(15)19-7-10/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 334.24 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107962702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).