[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone

C17H21N3O2 — CID 35324290

IUPAC[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C)n(Cc2cccc(C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C17H21N3O2/c1-13-10-14(2)20(18-13)12-15-4-3-5-16(11-15)17(21)19-6-8-22-9-7-19/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyYRGSSNXZZLLMKM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.02
Rot. Bonds3

About [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone

[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 35324290) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID35324290
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C)n(Cc2cccc(C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C17H21N3O2/c1-13-10-14(2)20(18-13)12-15-4-3-5-16(11-15)17(21)19-6-8-22-9-7-19/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyYRGSSNXZZLLMKM-UHFFFAOYSA-N
XLogP2.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]morpholine-2-carboxylic acid
CID 95891521
(4-aminopiperidin-1-yl)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119374195
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
CID 138807026
[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 119410639
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645620
ethyl 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 39891416
[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119410638
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 47084944
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19333727
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118440
(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 124576726
8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70753586

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone (CID 35324290) is [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone is Cc1cc(C)n(Cc2cccc(C(=O)N3CCOCC3)c2)n1.
What is the InChIKey of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YRGSSNXZZLLMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-10-14(2)20(18-13)12-15-4-3-5-16(11-15)17(21)19-6-8-22-9-7-19/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone?
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 299.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 35324290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).