[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone

C9H7F3N4O — CID 4767920

IUPAC[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone
SMILESCn1nc(C(=O)n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N4O/c1-15-7(9(10,11)12)5-6(14-15)8(17)16-4-2-3-13-16/h2-5H,1H3
InChIKeyNIKJFPWWEAMIRG-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.32
Rot. Bonds1

About [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone

[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone (PubChem CID 4767920) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone
PubChem CID4767920
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone
SMILESCn1nc(C(=O)n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N4O/c1-15-7(9(10,11)12)5-6(14-15)8(17)16-4-2-3-13-16/h2-5H,1H3
InChIKeyNIKJFPWWEAMIRG-UHFFFAOYSA-N
XLogP1.32
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone (CID 4767920) is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone is Cn1nc(C(=O)n2cccn2)cc1C(F)(F)F.
What is the InChIKey of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone?
The InChIKey is NIKJFPWWEAMIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-15-7(9(10,11)12)5-6(14-15)8(17)16-4-2-3-13-16/h2-5H,1H3.
What are the key properties of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone?
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone has a molecular weight of 244.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 4767920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).