4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine

C14H12BrN3S — CID 43561020

IUPAC4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)s1
InChIInChI=1S/C14H12BrN3S/c1-8-5-6-11(19-8)13-12(14(16)18-17-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H3,16,17,18)
InChIKeyNAXHIVRDVIZVML-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.46
Rot. Bonds2

About 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine

4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 43561020) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID43561020
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)s1
InChIInChI=1S/C14H12BrN3S/c1-8-5-6-11(19-8)13-12(14(16)18-17-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H3,16,17,18)
InChIKeyNAXHIVRDVIZVML-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine (CID 43561020) is 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)s1.
What is the InChIKey of 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is NAXHIVRDVIZVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-8-5-6-11(19-8)13-12(14(16)18-17-13)9-3-2-4-10(15)7-9/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-(5-methylthiophen-2-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-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 43561020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).