[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone

C19H32N4O — CID 70719918

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CC(N2CCCCC2C)C1
InChIInChI=1S/C19H32N4O/c1-5-23-18(11-16(20-23)10-14(2)3)19(24)21-12-17(13-21)22-9-7-6-8-15(22)4/h11,14-15,17H,5-10,12-13H2,1-4H3
InChIKeyVQFSWVQMLNIGAJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.80
Rot. Bonds5

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (PubChem CID 70719918) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
PubChem CID70719918
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CC(N2CCCCC2C)C1
InChIInChI=1S/C19H32N4O/c1-5-23-18(11-16(20-23)10-14(2)3)19(24)21-12-17(13-21)22-9-7-6-8-15(22)4/h11,14-15,17H,5-10,12-13H2,1-4H3
InChIKeyVQFSWVQMLNIGAJ-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (CID 70719918) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CC(N2CCCCC2C)C1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The InChIKey is VQFSWVQMLNIGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-5-23-18(11-16(20-23)10-14(2)3)19(24)21-12-17(13-21)22-9-7-6-8-15(22)4/h11,14-15,17H,5-10,12-13H2,1-4H3.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone has a molecular weight of 332.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 70719918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).