4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine

C15H10ClF3N4 — CID 103596010

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine
SMILESNc1c(-c2ncc(C(F)(F)F)cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C15H10ClF3N4/c16-12-6-9(15(17,18)19)7-21-13(12)11-8-22-23(14(11)20)10-4-2-1-3-5-10/h1-8H,20H2
InChIKeyWQHLGZRJRGMGEM-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.19
Rot. Bonds2

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine (PubChem CID 103596010) has the molecular formula C15H10ClF3N4 and a molecular weight of 338.72 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine
PubChem CID103596010
Molecular FormulaC15H10ClF3N4
Molecular Weight338.72 g/mol
Exact Mass338.05
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine
SMILESNc1c(-c2ncc(C(F)(F)F)cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C15H10ClF3N4/c16-12-6-9(15(17,18)19)7-21-13(12)11-8-22-23(14(11)20)10-4-2-1-3-5-10/h1-8H,20H2
InChIKeyWQHLGZRJRGMGEM-UHFFFAOYSA-N
XLogP4.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine (CID 103596010) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine is Nc1c(-c2ncc(C(F)(F)F)cc2Cl)cnn1-c1ccccc1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine?
The InChIKey is WQHLGZRJRGMGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4/c16-12-6-9(15(17,18)19)7-21-13(12)11-8-22-23(14(11)20)10-4-2-1-3-5-10/h1-8H,20H2.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine has a molecular weight of 338.72 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine is sourced from PubChem (CID 103596010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).