5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile

C9H6ClF3N6 — CID 19358930

IUPAC5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile
SMILESCn1nc(-n2nc(Cl)c(C#N)c2N)cc1C(F)(F)F
InChIInChI=1S/C9H6ClF3N6/c1-18-5(9(11,12)13)2-6(16-18)19-8(15)4(3-14)7(10)17-19/h2H,15H2,1H3
InChIKeyRZUPYMFEOAPDHI-UHFFFAOYSA-N
MW290.64 g/mol
LogP1.73
Rot. Bonds1

About 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile

5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile (PubChem CID 19358930) has the molecular formula C9H6ClF3N6 and a molecular weight of 290.64 g/mol. Its IUPAC name is 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile
PubChem CID19358930
Molecular FormulaC9H6ClF3N6
Molecular Weight290.64 g/mol
Exact Mass290.03
IUPAC Name5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile
SMILESCn1nc(-n2nc(Cl)c(C#N)c2N)cc1C(F)(F)F
InChIInChI=1S/C9H6ClF3N6/c1-18-5(9(11,12)13)2-6(16-18)19-8(15)4(3-14)7(10)17-19/h2H,15H2,1H3
InChIKeyRZUPYMFEOAPDHI-UHFFFAOYSA-N
XLogP1.73
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.64
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile (CID 19358930) is 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile is Cn1nc(-n2nc(Cl)c(C#N)c2N)cc1C(F)(F)F.
What is the InChIKey of 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile?
The InChIKey is RZUPYMFEOAPDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N6/c1-18-5(9(11,12)13)2-6(16-18)19-8(15)4(3-14)7(10)17-19/h2H,15H2,1H3.
What are the key properties of 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile?
5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile has a molecular weight of 290.64 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 19358930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).