4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole

C13H9F3N4 — CID 175799150

IUPAC4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)12-10(7-18-20-12)8-1-3-9(4-2-8)11-5-6-17-19-11/h1-7H,(H,17,19)(H,18,20)
InChIKeyBCCVLTYSPRZVFD-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.49
Rot. Bonds2

About 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole

4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 175799150) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole
PubChem CID175799150
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)12-10(7-18-20-12)8-1-3-9(4-2-8)11-5-6-17-19-11/h1-7H,(H,17,19)(H,18,20)
InChIKeyBCCVLTYSPRZVFD-UHFFFAOYSA-N
XLogP3.49
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole (CID 175799150) is 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1-c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is BCCVLTYSPRZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)12-10(7-18-20-12)8-1-3-9(4-2-8)11-5-6-17-19-11/h1-7H,(H,17,19)(H,18,20).
What are the key properties of 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole?
4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 278.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrazol-5-yl)phenyl]-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 175799150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).