5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile

C9H7ClF2N6 — CID 22912797

IUPAC5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile
SMILESCn1nc(-n2ncc(C#N)c2N)c(Cl)c1C(F)F
InChIInChI=1S/C9H7ClF2N6/c1-17-6(7(11)12)5(10)9(16-17)18-8(14)4(2-13)3-15-18/h3,7H,14H2,1H3
InChIKeyBAHUCJBNSCJPJC-UHFFFAOYSA-N
MW272.65 g/mol
LogP1.65
Rot. Bonds2

About 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile

5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile (PubChem CID 22912797) has the molecular formula C9H7ClF2N6 and a molecular weight of 272.65 g/mol. Its IUPAC name is 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile
PubChem CID22912797
Molecular FormulaC9H7ClF2N6
Molecular Weight272.65 g/mol
Exact Mass272.04
IUPAC Name5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile
SMILESCn1nc(-n2ncc(C#N)c2N)c(Cl)c1C(F)F
InChIInChI=1S/C9H7ClF2N6/c1-17-6(7(11)12)5(10)9(16-17)18-8(14)4(2-13)3-15-18/h3,7H,14H2,1H3
InChIKeyBAHUCJBNSCJPJC-UHFFFAOYSA-N
XLogP1.65
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.65
LogP ≤ 51.65
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-1-methyl-5-trifluoromethyl3-pyrazolyl)-4-cyanopyrazole
CID 22912794
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
4-Methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789525
[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-[1,3-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]-N-methylmethanamine
CID 64177929
1,3-Dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide
CID 64178085

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile (CID 22912797) is 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile is Cn1nc(-n2ncc(C#N)c2N)c(Cl)c1C(F)F.
What is the InChIKey of 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile?
The InChIKey is BAHUCJBNSCJPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N6/c1-17-6(7(11)12)5(10)9(16-17)18-8(14)4(2-13)3-15-18/h3,7H,14H2,1H3.
What are the key properties of 5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile?
5-amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile has a molecular weight of 272.65 g/mol, XLogP of 1.65, 2 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-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 22912797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).