[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone

C25H29N3O4 — CID 155950130

IUPAC[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
SMILESCOc1cc(CC2CN(C(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)C2)cc(OC)c1
InChIInChI=1S/C25H29N3O4/c1-16(2)19-5-7-20(8-6-19)28-15-23(29)24(26-28)25(30)27-13-18(14-27)9-17-10-21(31-3)12-22(11-17)32-4/h5-8,10-12,15-16,18,29H,9,13-14H2,1-4H3
InChIKeyGCWFJLJUEKWACN-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.03
Rot. Bonds7

About [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone

[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone (PubChem CID 155950130) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
PubChem CID155950130
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
SMILESCOc1cc(CC2CN(C(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)C2)cc(OC)c1
InChIInChI=1S/C25H29N3O4/c1-16(2)19-5-7-20(8-6-19)28-15-23(29)24(26-28)25(30)27-13-18(14-27)9-17-10-21(31-3)12-22(11-17)32-4/h5-8,10-12,15-16,18,29H,9,13-14H2,1-4H3
InChIKeyGCWFJLJUEKWACN-UHFFFAOYSA-N
XLogP4.03
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-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

[3-(1-aminoethyl)piperidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119596854
[4-hydroxy-1-(4-methoxyphenyl)pyrazol-3-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 146131646
N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119482434
[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97321169
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 155944583
[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 155951192
4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119464684
4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119514811
N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119509580
[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71873867
4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119454366
(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542663

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone?
The IUPAC name of [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone (CID 155950130) is [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone is COc1cc(CC2CN(C(=O)c3nn(-c4ccc(C(C)C)cc4)cc3O)C2)cc(OC)c1.
What is the InChIKey of [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone?
The InChIKey is GCWFJLJUEKWACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-16(2)19-5-7-20(8-6-19)28-15-23(29)24(26-28)25(30)27-13-18(14-27)9-17-10-21(31-3)12-22(11-17)32-4/h5-8,10-12,15-16,18,29H,9,13-14H2,1-4H3.
What are the key properties of [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone?
[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone has a molecular weight of 435.52 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 155950130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).