5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile

C14H9F5N4 — CID 175222281

IUPAC5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(N)c1C1(C(F)(F)F)CC1(F)F
InChIInChI=1S/C14H9F5N4/c15-13(16)7-12(13,14(17,18)19)10-9(6-20)22-23(11(10)21)8-4-2-1-3-5-8/h1-5H,7,21H2
InChIKeyMPLDZOGZVYOGLN-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.17
Rot. Bonds2

About 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile

5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile (PubChem CID 175222281) has the molecular formula C14H9F5N4 and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile
PubChem CID175222281
Molecular FormulaC14H9F5N4
Molecular Weight328.24 g/mol
Exact Mass328.07
IUPAC Name5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(N)c1C1(C(F)(F)F)CC1(F)F
InChIInChI=1S/C14H9F5N4/c15-13(16)7-12(13,14(17,18)19)10-9(6-20)22-23(11(10)21)8-4-2-1-3-5-8/h1-5H,7,21H2
InChIKeyMPLDZOGZVYOGLN-UHFFFAOYSA-N
XLogP3.17
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile?
The IUPAC name of 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile (CID 175222281) is 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile?
The canonical SMILES for 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile is N#Cc1nn(-c2ccccc2)c(N)c1C1(C(F)(F)F)CC1(F)F.
What is the InChIKey of 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile?
The InChIKey is MPLDZOGZVYOGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N4/c15-13(16)7-12(13,14(17,18)19)10-9(6-20)22-23(11(10)21)8-4-2-1-3-5-8/h1-5H,7,21H2.
What are the key properties of 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile?
5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile has a molecular weight of 328.24 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]-1-phenylpyrazole-3-carbonitrile is sourced from PubChem (CID 175222281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).