[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C12H19N3O — CID 176873225

IUPAC[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCC(C)CC1CN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C12H19N3O/c1-9(2)4-10-6-15(7-10)12(16)11-5-13-14(3)8-11/h5,8-10H,4,6-7H2,1-3H3
InChIKeyUNDHGNVYRQJWOR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.54
Rot. Bonds3

About [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 176873225) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID176873225
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCC(C)CC1CN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C12H19N3O/c1-9(2)4-10-6-15(7-10)12(16)11-5-13-14(3)8-11/h5,8-10H,4,6-7H2,1-3H3
InChIKeyUNDHGNVYRQJWOR-UHFFFAOYSA-N
XLogP1.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 43596244
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95550385
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102938421
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(1-methylpyrazol-4-yl)methanone
CID 74881679
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 176873225) is [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CC(C)CC1CN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is UNDHGNVYRQJWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)4-10-6-15(7-10)12(16)11-5-13-14(3)8-11/h5,8-10H,4,6-7H2,1-3H3.
What are the key properties of [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 176873225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).