5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C12H12F3N5O — CID 56644804

IUPAC5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)/N=c2/ccn(C)nc2)cnn1CC(F)(F)F
InChIInChI=1S/C12H12F3N5O/c1-8-10(6-17-20(8)7-12(13,14)15)11(21)18-9-3-4-19(2)16-5-9/h3-6H,7H2,1-2H3/b18-9-
InChIKeyDEGKZVDNFZJCTC-NVMNQCDNSA-N
MW299.26 g/mol
LogP1.23
Rot. Bonds2

About 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 56644804) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID56644804
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)/N=c2/ccn(C)nc2)cnn1CC(F)(F)F
InChIInChI=1S/C12H12F3N5O/c1-8-10(6-17-20(8)7-12(13,14)15)11(21)18-9-3-4-19(2)16-5-9/h3-6H,7H2,1-2H3/b18-9-
InChIKeyDEGKZVDNFZJCTC-NVMNQCDNSA-N
XLogP1.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 56644804) is 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1c(C(=O)/N=c2/ccn(C)nc2)cnn1CC(F)(F)F.
What is the InChIKey of 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is DEGKZVDNFZJCTC-NVMNQCDNSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-8-10(6-17-20(8)7-12(13,14)15)11(21)18-9-3-4-19(2)16-5-9/h3-6H,7H2,1-2H3/b18-9-.
What are the key properties of 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 299.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56644804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).