3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine

C13H10ClN3S — CID 17433375

IUPAC3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3S/c14-12-7-6-11(18-12)13-10(15)8-17(16-13)9-4-2-1-3-5-9/h1-8H,15H2
InChIKeyMDCQOTIOIHAUGU-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.84
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine

3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine (PubChem CID 17433375) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
PubChem CID17433375
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3S/c14-12-7-6-11(18-12)13-10(15)8-17(16-13)9-4-2-1-3-5-9/h1-8H,15H2
InChIKeyMDCQOTIOIHAUGU-UHFFFAOYSA-N
XLogP3.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine (CID 17433375) is 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine is Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine?
The InChIKey is MDCQOTIOIHAUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-12-7-6-11(18-12)13-10(15)8-17(16-13)9-4-2-1-3-5-9/h1-8H,15H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine?
3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine has a molecular weight of 275.76 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine is sourced from PubChem (CID 17433375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).