N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide

C14H23N3O — CID 35761025

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)C2CCC2)c1C
InChIInChI=1S/C14H23N3O/c1-5-17-11(3)13(10(2)15-17)9-16(4)14(18)12-7-6-8-12/h12H,5-9H2,1-4H3
InChIKeyGRAXURRMOLNRRY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.28
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide (PubChem CID 35761025) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide
PubChem CID35761025
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)C2CCC2)c1C
InChIInChI=1S/C14H23N3O/c1-5-17-11(3)13(10(2)15-17)9-16(4)14(18)12-7-6-8-12/h12H,5-9H2,1-4H3
InChIKeyGRAXURRMOLNRRY-UHFFFAOYSA-N
XLogP2.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide (CID 35761025) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide is CCn1nc(C)c(CN(C)C(=O)C2CCC2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide?
The InChIKey is GRAXURRMOLNRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17-11(3)13(10(2)15-17)9-16(4)14(18)12-7-6-8-12/h12H,5-9H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 35761025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).