3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide

C18H23N3O2 — CID 138021770

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide
SMILESCc1n[nH]c(C)c1CC(C)C(=O)NC1(c2ccccc2)COC1
InChIInChI=1S/C18H23N3O2/c1-12(9-16-13(2)20-21-14(16)3)17(22)19-18(10-23-11-18)15-7-5-4-6-8-15/h4-8,12H,9-11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyTVNDIRGPYZTLFL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.25
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide (PubChem CID 138021770) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide
PubChem CID138021770
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide
SMILESCc1n[nH]c(C)c1CC(C)C(=O)NC1(c2ccccc2)COC1
InChIInChI=1S/C18H23N3O2/c1-12(9-16-13(2)20-21-14(16)3)17(22)19-18(10-23-11-18)15-7-5-4-6-8-15/h4-8,12H,9-11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyTVNDIRGPYZTLFL-UHFFFAOYSA-N
XLogP2.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide (CID 138021770) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide is Cc1n[nH]c(C)c1CC(C)C(=O)NC1(c2ccccc2)COC1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide?
The InChIKey is TVNDIRGPYZTLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(9-16-13(2)20-21-14(16)3)17(22)19-18(10-23-11-18)15-7-5-4-6-8-15/h4-8,12H,9-11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-(3-phenyloxetan-3-yl)propanamide is sourced from PubChem (CID 138021770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).