[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone

C19H23N3O3 — CID 136543985

IUPAC[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(OC2CCOCC2)cc1)N1CCC(n2cccn2)C1
InChIInChI=1S/C19H23N3O3/c23-19(21-11-6-16(14-21)22-10-1-9-20-22)15-2-4-17(5-3-15)25-18-7-12-24-13-8-18/h1-5,9-10,16,18H,6-8,11-14H2
InChIKeyIJUVLAJDJWOYJO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.53
Rot. Bonds4

About [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone

[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone (PubChem CID 136543985) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
PubChem CID136543985
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(OC2CCOCC2)cc1)N1CCC(n2cccn2)C1
InChIInChI=1S/C19H23N3O3/c23-19(21-11-6-16(14-21)22-10-1-9-20-22)15-2-4-17(5-3-15)25-18-7-12-24-13-8-18/h1-5,9-10,16,18H,6-8,11-14H2
InChIKeyIJUVLAJDJWOYJO-UHFFFAOYSA-N
XLogP2.53
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946356
[4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 141234549
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
3-methyl-1-[4-(oxan-4-yloxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257401
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 139004691

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone (CID 136543985) is [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(OC2CCOCC2)cc1)N1CCC(n2cccn2)C1.
What is the InChIKey of [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is IJUVLAJDJWOYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(21-11-6-16(14-21)22-10-1-9-20-22)15-2-4-17(5-3-15)25-18-7-12-24-13-8-18/h1-5,9-10,16,18H,6-8,11-14H2.
What are the key properties of [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone?
[4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yloxy)phenyl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 136543985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).