(1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone

C17H27N3O2 — CID 154779370

IUPAC(1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone
SMILESCCn1nc(C)c(C(=O)N2CC(CC3CCOCC3)C2)c1C
InChIInChI=1S/C17H27N3O2/c1-4-20-13(3)16(12(2)18-20)17(21)19-10-15(11-19)9-14-5-7-22-8-6-14/h14-15H,4-11H2,1-3H3
InChIKeyWZEMCQHOJVOPFY-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.41
Rot. Bonds4

About (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone

(1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone (PubChem CID 154779370) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone
PubChem CID154779370
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone
SMILESCCn1nc(C)c(C(=O)N2CC(CC3CCOCC3)C2)c1C
InChIInChI=1S/C17H27N3O2/c1-4-20-13(3)16(12(2)18-20)17(21)19-10-15(11-19)9-14-5-7-22-8-6-14/h14-15H,4-11H2,1-3H3
InChIKeyWZEMCQHOJVOPFY-UHFFFAOYSA-N
XLogP2.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-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

(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026569
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
CID 133127344
3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxylic acid
CID 55065971
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
1-ethyl-3,5-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazole-4-carboxamide
CID 91797549
(3aS,6aR)-2-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682406
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91763710
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590611
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291291
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754607
oxan-4-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124690

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone (CID 154779370) is (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone is CCn1nc(C)c(C(=O)N2CC(CC3CCOCC3)C2)c1C.
What is the InChIKey of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone?
The InChIKey is WZEMCQHOJVOPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-20-13(3)16(12(2)18-20)17(21)19-10-15(11-19)9-14-5-7-22-8-6-14/h14-15H,4-11H2,1-3H3.
What are the key properties of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone?
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[3-(oxan-4-ylmethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 154779370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).