(3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

C19H19N5O2 — CID 71799334

IUPAC(3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C19H19N5O2/c25-19(17-13-16(21-22-17)14-5-2-1-3-6-14)24-11-8-15(9-12-24)26-18-7-4-10-20-23-18/h1-7,10,13,15H,8-9,11-12H2,(H,21,22)
InChIKeyOGGQYMSCROBDCU-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.55
Rot. Bonds4

About (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

(3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 71799334) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID71799334
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C19H19N5O2/c25-19(17-13-16(21-22-17)14-5-2-1-3-6-14)24-11-8-15(9-12-24)26-18-7-4-10-20-23-18/h1-7,10,13,15H,8-9,11-12H2,(H,21,22)
InChIKeyOGGQYMSCROBDCU-UHFFFAOYSA-N
XLogP2.55
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638178
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
CID 71798583
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90639018
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247037
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 166328912
1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620291
6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 100622739
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90636845
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 71799334) is (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is OGGQYMSCROBDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(17-13-16(21-22-17)14-5-2-1-3-6-14)24-11-8-15(9-12-24)26-18-7-4-10-20-23-18/h1-7,10,13,15H,8-9,11-12H2,(H,21,22).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 71799334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).