1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole

C6H5F2N5 — CID 167421297

IUPAC1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole
SMILESFC(F)n1ncnc1-c1ccn[nH]1
InChIInChI=1S/C6H5F2N5/c7-6(8)13-5(9-3-11-13)4-1-2-10-12-4/h1-3,6H,(H,10,12)
InChIKeyAPEVDGUMDBZGAF-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.06
Rot. Bonds2

About 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole

1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole (PubChem CID 167421297) has the molecular formula C6H5F2N5 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole
PubChem CID167421297
Molecular FormulaC6H5F2N5
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole
SMILESFC(F)n1ncnc1-c1ccn[nH]1
InChIInChI=1S/C6H5F2N5/c7-6(8)13-5(9-3-11-13)4-1-2-10-12-4/h1-3,6H,(H,10,12)
InChIKeyAPEVDGUMDBZGAF-UHFFFAOYSA-N
XLogP1.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 71685845
3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 2315252
Pyrazolylpyrimidine
CID 53630866
2-(1H-pyrazol-5-yl)-1,3,5-triazine
CID 66676329
Pyrazolyl[1,2,4]triazole
CID 69840360
Imidazolylpyrazole
CID 136029224
2-(1H-Pyrazol-3-YL)-4-(trifluoromethyl)pyrimidine
CID 50984466
5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole
CID 91371822
2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethyl)pyrimidine
CID 173108308
2-N-(4,4-difluorocyclohexyl)-6-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 175495147
5-fluoro-2-(1H-pyrazol-5-yl)pyrimidine
CID 175992438
7h-Pyrazolo[5,1-d][1,2,4]triazolo[4,3-b][1,2,5]triazepine
CID 146037686

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole?
The IUPAC name of 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole (CID 167421297) is 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole?
The canonical SMILES for 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole is FC(F)n1ncnc1-c1ccn[nH]1.
What is the InChIKey of 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole?
The InChIKey is APEVDGUMDBZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N5/c7-6(8)13-5(9-3-11-13)4-1-2-10-12-4/h1-3,6H,(H,10,12).
What are the key properties of 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole?
1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole has a molecular weight of 185.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole is sourced from PubChem (CID 167421297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).