4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine

C14H12BrN3S — CID 79802922

IUPAC4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
SMILESCc1cscc1-c1[nH]nc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C14H12BrN3S/c1-8-6-19-7-11(8)13-12(14(16)18-17-13)9-3-2-4-10(15)5-9/h2-7H,1H3,(H3,16,17,18)
InChIKeyHKYGZNZGCNBEAC-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.46
Rot. Bonds2

About 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine

4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine (PubChem CID 79802922) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
PubChem CID79802922
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
SMILESCc1cscc1-c1[nH]nc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C14H12BrN3S/c1-8-6-19-7-11(8)13-12(14(16)18-17-13)9-3-2-4-10(15)5-9/h2-7H,1H3,(H3,16,17,18)
InChIKeyHKYGZNZGCNBEAC-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

5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107982716
4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 43561020
4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153292
4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 81454272
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107955139
4-(3-bromophenyl)-5-(4-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 107988589
4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803023
5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830116
4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine
CID 79096350
4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803180
5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 81460309
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine (CID 79802922) is 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine is Cc1cscc1-c1[nH]nc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The InChIKey is HKYGZNZGCNBEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-8-6-19-7-11(8)13-12(14(16)18-17-13)9-3-2-4-10(15)5-9/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-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 4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79802922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).