5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile

C11H8F2N4 — CID 22310003

IUPAC5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(-c2ccc(F)cc2F)c(C#N)c1N
InChIInChI=1S/C11H8F2N4/c1-17-11(15)8(5-14)10(16-17)7-3-2-6(12)4-9(7)13/h2-4H,15H2,1H3
InChIKeyBDHLCOOAQVBTBC-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.82
Rot. Bonds1

About 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile

5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile (PubChem CID 22310003) has the molecular formula C11H8F2N4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile
PubChem CID22310003
Molecular FormulaC11H8F2N4
Molecular Weight234.21 g/mol
Exact Mass234.07
IUPAC Name5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(-c2ccc(F)cc2F)c(C#N)c1N
InChIInChI=1S/C11H8F2N4/c1-17-11(15)8(5-14)10(16-17)7-3-2-6(12)4-9(7)13/h2-4H,15H2,1H3
InChIKeyBDHLCOOAQVBTBC-UHFFFAOYSA-N
XLogP1.82
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 22310011
5-amino-3-(2,4-difluorophenyl)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 22310006
5-amino-3-(4-bromo-2-fluorophenyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 90075770
3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 106687623
4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine
CID 64561055
4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
CID 64560671
5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309905
3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 80644808
2-amino-4-(2,4-difluorophenyl)-5-methylfuran-3-carbonitrile
CID 82475748
3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62018117
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777
5-amino-3-(4-fluoro-3-methylanilino)-1-methylpyrazole-4-carbonitrile
CID 3782110

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile (CID 22310003) is 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile is Cn1nc(-c2ccc(F)cc2F)c(C#N)c1N.
What is the InChIKey of 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile?
The InChIKey is BDHLCOOAQVBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4/c1-17-11(15)8(5-14)10(16-17)7-3-2-6(12)4-9(7)13/h2-4H,15H2,1H3.
What are the key properties of 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile?
5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile has a molecular weight of 234.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 22310003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).