3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine

C14H10F3N5 — CID 71374072

IUPAC3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H10F3N5/c15-14(16,17)11-6-7-19-13(20-11)22-12(18)8-10(21-22)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyPHGJQTJGPNFGFB-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.93
Rot. Bonds2

About 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine

3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine (PubChem CID 71374072) has the molecular formula C14H10F3N5 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine
PubChem CID71374072
Molecular FormulaC14H10F3N5
Molecular Weight305.26 g/mol
Exact Mass305.09
IUPAC Name3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H10F3N5/c15-14(16,17)11-6-7-19-13(20-11)22-12(18)8-10(21-22)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyPHGJQTJGPNFGFB-UHFFFAOYSA-N
XLogP2.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine?
The IUPAC name of 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine (CID 71374072) is 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine.
What is the SMILES notation for 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine?
The canonical SMILES for 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine is Nc1cc(-c2ccccc2)nn1-c1nccc(C(F)(F)F)n1.
What is the InChIKey of 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine?
The InChIKey is PHGJQTJGPNFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5/c15-14(16,17)11-6-7-19-13(20-11)22-12(18)8-10(21-22)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine?
3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine has a molecular weight of 305.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine is sourced from PubChem (CID 71374072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).