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

C9H6ClF3N6 — CID 22912794

IUPAC5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile
SMILESCn1nc(-n2ncc(C#N)c2N)c(Cl)c1C(F)(F)F
InChIInChI=1S/C9H6ClF3N6/c1-18-6(9(11,12)13)5(10)8(17-18)19-7(15)4(2-14)3-16-19/h3H,15H2,1H3
InChIKeyXQERDWMJANWLPR-UHFFFAOYSA-N
MW290.64 g/mol
LogP1.73
Rot. Bonds1

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

5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile (PubChem CID 22912794) has the molecular formula C9H6ClF3N6 and a molecular weight of 290.64 g/mol. Its IUPAC name is 5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile
PubChem CID22912794
Molecular FormulaC9H6ClF3N6
Molecular Weight290.64 g/mol
Exact Mass290.03
IUPAC Name5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile
SMILESCn1nc(-n2ncc(C#N)c2N)c(Cl)c1C(F)(F)F
InChIInChI=1S/C9H6ClF3N6/c1-18-6(9(11,12)13)5(10)8(17-18)19-7(15)4(2-14)3-16-19/h3H,15H2,1H3
InChIKeyXQERDWMJANWLPR-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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Related Compounds

4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 126823784
5-Amino-3-chloro-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile
CID 19358930
5-Amino-4-cyano-1-(1-methyl-5-trifluoromethyl-3-pyrazolyl)pyrazole
CID 22912793
5-Amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile
CID 22912797
1-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-methylpyrazole-4-carbothioamide
CID 53826363
4-Chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
CID 70967674
1-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
CID 141861726
[1,3-Dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]methanamine
CID 64175033
1,3-Dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carbonitrile
CID 64177241
1,3-Dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide
CID 64178085
4-(Chloromethyl)-1,3-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazole
CID 64178449
1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
CID 126964654

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile (CID 22912794) is 5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile is Cn1nc(-n2ncc(C#N)c2N)c(Cl)c1C(F)(F)F.
What is the InChIKey of 5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile?
The InChIKey is XQERDWMJANWLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N6/c1-18-6(9(11,12)13)5(10)8(17-18)19-7(15)4(2-14)3-16-19/h3H,15H2,1H3.
What are the key properties of 5-amino-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile?
5-amino-1-[4-chloro-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-1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 22912794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).