[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

C16H27N3O — CID 122152024

IUPAC[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)C1CN(C(=O)c2ccn(C(C)C)n2)C1C(C)C
InChIInChI=1S/C16H27N3O/c1-10(2)13-9-18(15(13)11(3)4)16(20)14-7-8-19(17-14)12(5)6/h7-8,10-13,15H,9H2,1-6H3
InChIKeyWNDWSDAKIAYFIA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.22
Rot. Bonds4

About [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 122152024) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID122152024
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)C1CN(C(=O)c2ccn(C(C)C)n2)C1C(C)C
InChIInChI=1S/C16H27N3O/c1-10(2)13-9-18(15(13)11(3)4)16(20)14-7-8-19(17-14)12(5)6/h7-8,10-13,15H,9H2,1-6H3
InChIKeyWNDWSDAKIAYFIA-UHFFFAOYSA-N
XLogP3.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
2-[4-(1-propan-2-ylpyrazole-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210178
[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 129491193
(3-ethylsulfonylazetidin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122154914
2-bromo-1-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 146407940
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 128990290
1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134714471
1-(1-propan-2-ylpyrazol-3-yl)prop-2-yn-1-one
CID 145062859
[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 125144117
(3aS,7aS)-2-(1-propan-2-ylpyrazole-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627271
1-(1-propan-2-ylpyrazol-3-yl)ethenol
CID 170024820

Frequently Asked Questions

What is the IUPAC name of [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (CID 122152024) is [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is CC(C)C1CN(C(=O)c2ccn(C(C)C)n2)C1C(C)C.
What is the InChIKey of [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is WNDWSDAKIAYFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)13-9-18(15(13)11(3)4)16(20)14-7-8-19(17-14)12(5)6/h7-8,10-13,15H,9H2,1-6H3.
What are the key properties of [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 277.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 122152024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).