1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C10H8F3N5O — CID 45256074

IUPAC1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C10H8F3N5O/c1-18-8(10(11,12)13)7(5-16-18)9(19)17-6-2-3-14-15-4-6/h2-5H,1H3,(H,14,17,19)
InChIKeyDIQNEQCBCPZLBT-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.48
Rot. Bonds2

About 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 45256074) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID45256074
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C10H8F3N5O/c1-18-8(10(11,12)13)7(5-16-18)9(19)17-6-2-3-14-15-4-6/h2-5H,1H3,(H,14,17,19)
InChIKeyDIQNEQCBCPZLBT-UHFFFAOYSA-N
XLogP1.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 45256074) is 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccnnc2)c1C(F)(F)F.
What is the InChIKey of 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DIQNEQCBCPZLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c1-18-8(10(11,12)13)7(5-16-18)9(19)17-6-2-3-14-15-4-6/h2-5H,1H3,(H,14,17,19).
What are the key properties of 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45256074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).