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

C18H17N5O2 — CID 90638178

IUPAC(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C18H17N5O2/c24-18(16-11-15(20-21-16)13-5-2-1-3-6-13)23-10-8-14(12-23)25-17-7-4-9-19-22-17/h1-7,9,11,14H,8,10,12H2,(H,20,21)
InChIKeyMJXXCOGMAVSBHO-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.16
Rot. Bonds4

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

(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 90638178) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID90638178
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C18H17N5O2/c24-18(16-11-15(20-21-16)13-5-2-1-3-6-13)23-10-8-14(12-23)25-17-7-4-9-19-22-17/h1-7,9,11,14H,8,10,12H2,(H,20,21)
InChIKeyMJXXCOGMAVSBHO-UHFFFAOYSA-N
XLogP2.16
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
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(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
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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
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[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
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(3-phenyl-1H-pyrazol-5-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
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[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
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(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 90638405
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (CID 90638178) is (3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is MJXXCOGMAVSBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(16-11-15(20-21-16)13-5-2-1-3-6-13)23-10-8-14(12-23)25-17-7-4-9-19-22-17/h1-7,9,11,14H,8,10,12H2,(H,20,21).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 335.37 g/mol, XLogP of 2.16, 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)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90638178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).