6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine

C18H10ClF3N4 — CID 1478940

IUPAC6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnc(-c2cnc3c(-c4ccccc4)cnn3c2)c(Cl)c1
InChIInChI=1S/C18H10ClF3N4/c19-15-6-13(18(20,21)22)8-23-16(15)12-7-24-17-14(9-25-26(17)10-12)11-4-2-1-3-5-11/h1-10H
InChIKeyBLWRLKHHGAJZEY-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.13
Rot. Bonds2

About 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine

6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 1478940) has the molecular formula C18H10ClF3N4 and a molecular weight of 374.75 g/mol. Its IUPAC name is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID1478940
Molecular FormulaC18H10ClF3N4
Molecular Weight374.75 g/mol
Exact Mass374.05
IUPAC Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnc(-c2cnc3c(-c4ccccc4)cnn3c2)c(Cl)c1
InChIInChI=1S/C18H10ClF3N4/c19-15-6-13(18(20,21)22)8-23-16(15)12-7-24-17-14(9-25-26(17)10-12)11-4-2-1-3-5-11/h1-10H
InChIKeyBLWRLKHHGAJZEY-UHFFFAOYSA-N
XLogP5.13
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine (CID 1478940) is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cnc(-c2cnc3c(-c4ccccc4)cnn3c2)c(Cl)c1.
What is the InChIKey of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BLWRLKHHGAJZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N4/c19-15-6-13(18(20,21)22)8-23-16(15)12-7-24-17-14(9-25-26(17)10-12)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine?
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 374.75 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1478940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).