6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C17H13F4N5O — CID 71791814

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)nn2)n1
InChIInChI=1S/C17H13F4N5O/c1-9-7-10(2)26(25-9)15-6-5-14(23-24-15)16(27)22-11-3-4-13(18)12(8-11)17(19,20)21/h3-8H,1-2H3,(H,22,27)
InChIKeySWKMAGPZPDPKAT-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.69
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 71791814) has the molecular formula C17H13F4N5O and a molecular weight of 379.32 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID71791814
Molecular FormulaC17H13F4N5O
Molecular Weight379.32 g/mol
Exact Mass379.11
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)nn2)n1
InChIInChI=1S/C17H13F4N5O/c1-9-7-10(2)26(25-9)15-6-5-14(23-24-15)16(27)22-11-3-4-13(18)12(8-11)17(19,20)21/h3-8H,1-2H3,(H,22,27)
InChIKeySWKMAGPZPDPKAT-UHFFFAOYSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide
CID 112818295
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
4-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 31908543
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
6-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 71791844
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765682
1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55817606
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
CID 71791847
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 71791814) is 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is SWKMAGPZPDPKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N5O/c1-9-7-10(2)26(25-9)15-6-5-14(23-24-15)16(27)22-11-3-4-13(18)12(8-11)17(19,20)21/h3-8H,1-2H3,(H,22,27).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 379.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71791814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).