4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide

C19H18F3N7O — CID 122345827

IUPAC4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)c(F)c4F)CC3)nn2)n1
InChIInChI=1S/C19H18F3N7O/c1-12-6-7-29(26-12)16-5-4-15(24-25-16)27-8-10-28(11-9-27)19(30)23-14-3-2-13(20)17(21)18(14)22/h2-7H,8-11H2,1H3,(H,23,30)
InChIKeyRRRKZQAOXZEPOS-UHFFFAOYSA-N
MW417.40 g/mol
LogP2.74
Rot. Bonds3

About 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide

4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide (PubChem CID 122345827) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
PubChem CID122345827
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC Name4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)c(F)c4F)CC3)nn2)n1
InChIInChI=1S/C19H18F3N7O/c1-12-6-7-29(26-12)16-5-4-15(24-25-16)27-8-10-28(11-9-27)19(30)23-14-3-2-13(20)17(21)18(14)22/h2-7H,8-11H2,1H3,(H,23,30)
InChIKeyRRRKZQAOXZEPOS-UHFFFAOYSA-N
XLogP2.74
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56920257
N-(2,4-dimethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921024
N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921616
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122346068
(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345832
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122345938
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034120
N-(2,6-difluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122344725
2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 133290882
2-(4-fluorophenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345870
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide (CID 122345827) is 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide is Cc1ccn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)c(F)c4F)CC3)nn2)n1.
What is the InChIKey of 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The InChIKey is RRRKZQAOXZEPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O/c1-12-6-7-29(26-12)16-5-4-15(24-25-16)27-8-10-28(11-9-27)19(30)23-14-3-2-13(20)17(21)18(14)22/h2-7H,8-11H2,1H3,(H,23,30).
What are the key properties of 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide has a molecular weight of 417.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122345827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).