[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C20H27N3O2 — CID 166622260

IUPAC[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(Cc3cccc(O)c3)C2)n(C)n1
InChIInChI=1S/C20H27N3O2/c1-14(2)9-17-12-19(22(3)21-17)20(25)23-8-7-16(13-23)10-15-5-4-6-18(24)11-15/h4-6,11-12,14,16,24H,7-10,13H2,1-3H3
InChIKeyDJIMSPNHYREQHR-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.03
Rot. Bonds5

About [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 166622260) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID166622260
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC(Cc3cccc(O)c3)C2)n(C)n1
InChIInChI=1S/C20H27N3O2/c1-14(2)9-17-12-19(22(3)21-17)20(25)23-8-7-16(13-23)10-15-5-4-6-18(24)11-15/h4-6,11-12,14,16,24H,7-10,13H2,1-3H3
InChIKeyDJIMSPNHYREQHR-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone with MolForge

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Related Compounds

[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 166616660
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176504679
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95426769
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
2-[(3S,4S)-4-(3-chlorophenoxy)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide
CID 110078816
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114801021
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 124994682
1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 166623031
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 46957093
(2,5-difluorophenyl)-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 24790323

Frequently Asked Questions

What is the IUPAC name of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 166622260) is [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is CC(C)Cc1cc(C(=O)N2CCC(Cc3cccc(O)c3)C2)n(C)n1.
What is the InChIKey of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is DJIMSPNHYREQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)9-17-12-19(22(3)21-17)20(25)23-8-7-16(13-23)10-15-5-4-6-18(24)11-15/h4-6,11-12,14,16,24H,7-10,13H2,1-3H3.
What are the key properties of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 166622260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).