5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile

C6H4F3N3 — CID 118270521

IUPAC5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
SMILESCc1[nH]nc(C#N)c1C(F)(F)F
InChIInChI=1S/C6H4F3N3/c1-3-5(6(7,8)9)4(2-10)12-11-3/h1H3,(H,11,12)
InChIKeySLOMENRHCSTUCN-UHFFFAOYSA-N
MW175.11 g/mol
LogP1.61
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile

5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile (PubChem CID 118270521) has the molecular formula C6H4F3N3 and a molecular weight of 175.11 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
PubChem CID118270521
Molecular FormulaC6H4F3N3
Molecular Weight175.11 g/mol
Exact Mass175.04
IUPAC Name5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
SMILESCc1[nH]nc(C#N)c1C(F)(F)F
InChIInChI=1S/C6H4F3N3/c1-3-5(6(7,8)9)4(2-10)12-11-3/h1H3,(H,11,12)
InChIKeySLOMENRHCSTUCN-UHFFFAOYSA-N
XLogP1.61
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile 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

3,4,5-Trimethylpyrazole
CID 138528
3,5-Dimethyl-4-ethylpyrazole
CID 572877
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
3,4,5-Tris(trifluoromethyl)-1H-pyrazole
CID 13245508
5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole
CID 13956734
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 18735151
3,5-dimethyl-4-(trifluoromethyl)-1H-pyrazole
CID 20719699
5-methyl-4-propyl-3-(trifluoromethyl)-1H-pyrazole
CID 21618541
4-iodo-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 51000275
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-amine
CID 55282490
5-methyl-4-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole
CID 57813035
4-tert-butyl-3-(difluoromethyl)-5-methyl-1H-pyrazole
CID 57813050

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile (CID 118270521) is 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile is Cc1[nH]nc(C#N)c1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile?
The InChIKey is SLOMENRHCSTUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3/c1-3-5(6(7,8)9)4(2-10)12-11-3/h1H3,(H,11,12).
What are the key properties of 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile?
5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile has a molecular weight of 175.11 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile is sourced from PubChem (CID 118270521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).