4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine

C14H10F3N3S — CID 67787784

IUPAC4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1-c1cc(-c2ccccc2)cs1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)12-11(13(18)20-19-12)10-6-9(7-21-10)8-4-2-1-3-5-8/h1-7H,(H3,18,19,20)
InChIKeyZOTPCFBXMPIVKR-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.41
Rot. Bonds2

About 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine

4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 67787784) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID67787784
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)c1-c1cc(-c2ccccc2)cs1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)12-11(13(18)20-19-12)10-6-9(7-21-10)8-4-2-1-3-5-8/h1-7H,(H3,18,19,20)
InChIKeyZOTPCFBXMPIVKR-UHFFFAOYSA-N
XLogP4.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 67787784) is 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is Nc1n[nH]c(C(F)(F)F)c1-c1cc(-c2ccccc2)cs1.
What is the InChIKey of 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is ZOTPCFBXMPIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-14(16,17)12-11(13(18)20-19-12)10-6-9(7-21-10)8-4-2-1-3-5-8/h1-7H,(H3,18,19,20).
What are the key properties of 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 309.32 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 67787784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).