3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide

C12H20N4O2 — CID 54915827

IUPAC3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H20N4O2/c1-5-6-16(7-10(17)13-4)12(18)11-8(2)14-15-9(11)3/h5-7H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyZUGDOZVMJFDNNS-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.62
Rot. Bonds5

About 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 54915827) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID54915827
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H20N4O2/c1-5-6-16(7-10(17)13-4)12(18)11-8(2)14-15-9(11)3/h5-7H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyZUGDOZVMJFDNNS-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide (CID 54915827) is 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide is CCCN(CC(=O)NC)C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZUGDOZVMJFDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-6-16(7-10(17)13-4)12(18)11-8(2)14-15-9(11)3/h5-7H2,1-4H3,(H,13,17)(H,14,15).
What are the key properties of 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54915827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).