(2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone

C21H19F3N6O4 — CID 55850480

IUPAC(2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c2C(F)(F)F)nn1
InChIInChI=1S/C21H19F3N6O4/c1-34-17-7-6-16(26-27-17)30-18(21(22,23)24)14(12-25-30)20(33)29-10-8-28(9-11-29)19(32)13-4-2-3-5-15(13)31/h2-7,12,31H,8-11H2,1H3
InChIKeyMNUIUNFJRCMHOH-UHFFFAOYSA-N
MW476.42 g/mol
LogP1.99
Rot. Bonds4

About (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone

(2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 55850480) has the molecular formula C21H19F3N6O4 and a molecular weight of 476.42 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID55850480
Molecular FormulaC21H19F3N6O4
Molecular Weight476.42 g/mol
Exact Mass476.14
IUPAC Name(2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c2C(F)(F)F)nn1
InChIInChI=1S/C21H19F3N6O4/c1-34-17-7-6-16(26-27-17)30-18(21(22,23)24)14(12-25-30)20(33)29-10-8-28(9-11-29)19(32)13-4-2-3-5-15(13)31/h2-7,12,31H,8-11H2,1H3
InChIKeyMNUIUNFJRCMHOH-UHFFFAOYSA-N
XLogP1.99
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31532998
(4-cyclopentylpiperazin-1-yl)-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55584525
[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 31533813
(2-hydroxyphenyl)-[4-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55850609
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530877
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31964223
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31904438
1-(6-methoxypyridazin-3-yl)-N-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86919850
1-(6-methoxypyridazin-3-yl)-N-(4-phenylbutan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46418578
N-[4-(azepan-1-yl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55545330
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36701571
methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate
CID 46491304

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone (CID 55850480) is (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone is COc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)c2C(F)(F)F)nn1.
What is the InChIKey of (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is MNUIUNFJRCMHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O4/c1-34-17-7-6-16(26-27-17)30-18(21(22,23)24)14(12-25-30)20(33)29-10-8-28(9-11-29)19(32)13-4-2-3-5-15(13)31/h2-7,12,31H,8-11H2,1H3.
What are the key properties of (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone?
(2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 476.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55850480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).