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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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).