N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide

C11H19N3O — CID 42686716

IUPACN-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide
SMILESCCc1n[nH]c(CC)c1NC(=O)C(C)C
InChIInChI=1S/C11H19N3O/c1-5-8-10(9(6-2)14-13-8)12-11(15)7(3)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyNTIJLZCJUSOXGX-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.13
Rot. Bonds4

About N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide

N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide (PubChem CID 42686716) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide
PubChem CID42686716
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide
SMILESCCc1n[nH]c(CC)c1NC(=O)C(C)C
InChIInChI=1S/C11H19N3O/c1-5-8-10(9(6-2)14-13-8)12-11(15)7(3)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyNTIJLZCJUSOXGX-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide?
The IUPAC name of N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide (CID 42686716) is N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide is CCc1n[nH]c(CC)c1NC(=O)C(C)C.
What is the InChIKey of N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide?
The InChIKey is NTIJLZCJUSOXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-8-10(9(6-2)14-13-8)12-11(15)7(3)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide?
N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylpropanamide is sourced from PubChem (CID 42686716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).