N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide

C15H25N3O2 — CID 136513488

IUPACN-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCCOC1CC(N(C)C(=O)c2cn[nH]c2)C1(CC)CC
InChIInChI=1S/C15H25N3O2/c1-5-15(6-2)12(8-13(15)20-7-3)18(4)14(19)11-9-16-17-10-11/h9-10,12-13H,5-8H2,1-4H3,(H,16,17)
InChIKeyUBHGRYXVCYEHFA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.47
Rot. Bonds6

About N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide

N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 136513488) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID136513488
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCCOC1CC(N(C)C(=O)c2cn[nH]c2)C1(CC)CC
InChIInChI=1S/C15H25N3O2/c1-5-15(6-2)12(8-13(15)20-7-3)18(4)14(19)11-9-16-17-10-11/h9-10,12-13H,5-8H2,1-4H3,(H,16,17)
InChIKeyUBHGRYXVCYEHFA-UHFFFAOYSA-N
XLogP2.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 136513488) is N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide is CCOC1CC(N(C)C(=O)c2cn[nH]c2)C1(CC)CC.
What is the InChIKey of N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is UBHGRYXVCYEHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-15(6-2)12(8-13(15)20-7-3)18(4)14(19)11-9-16-17-10-11/h9-10,12-13H,5-8H2,1-4H3,(H,16,17).
What are the key properties of N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 136513488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).