5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide

C22H16ClF3N6O2 — CID 10184823

IUPAC5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
SMILESN#Cc1cccc(C2=NN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCC2n2cc(Cl)cn2)c1
InChIInChI=1S/C22H16ClF3N6O2/c23-16-12-28-32(13-16)19-8-9-31(30-20(19)15-3-1-2-14(10-15)11-27)21(33)29-17-4-6-18(7-5-17)34-22(24,25)26/h1-7,10,12-13,19H,8-9H2,(H,29,33)
InChIKeyFRABURIAJKBJDA-UHFFFAOYSA-N
MW488.86 g/mol
LogP5.19
Rot. Bonds4

About 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide

5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide (PubChem CID 10184823) has the molecular formula C22H16ClF3N6O2 and a molecular weight of 488.86 g/mol. Its IUPAC name is 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
PubChem CID10184823
Molecular FormulaC22H16ClF3N6O2
Molecular Weight488.86 g/mol
Exact Mass488.10
IUPAC Name5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
SMILESN#Cc1cccc(C2=NN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCC2n2cc(Cl)cn2)c1
InChIInChI=1S/C22H16ClF3N6O2/c23-16-12-28-32(13-16)19-8-9-31(30-20(19)15-3-1-2-14(10-15)11-27)21(33)29-17-4-6-18(7-5-17)34-22(24,25)26/h1-7,10,12-13,19H,8-9H2,(H,29,33)
InChIKeyFRABURIAJKBJDA-UHFFFAOYSA-N
XLogP5.19
TPSA95.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.86
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?
The IUPAC name of 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide (CID 10184823) is 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide.
What is the SMILES notation for 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?
The canonical SMILES for 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide is N#Cc1cccc(C2=NN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCC2n2cc(Cl)cn2)c1.
What is the InChIKey of 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?
The InChIKey is FRABURIAJKBJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N6O2/c23-16-12-28-32(13-16)19-8-9-31(30-20(19)15-3-1-2-14(10-15)11-27)21(33)29-17-4-6-18(7-5-17)34-22(24,25)26/h1-7,10,12-13,19H,8-9H2,(H,29,33).
What are the key properties of 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?
5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide has a molecular weight of 488.86 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropyrazol-1-yl)-6-(3-cyanophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide is sourced from PubChem (CID 10184823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).