3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

C12H21N3O — CID 42669892

IUPAC3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1nn(C)c(CC)c1C(=O)NC(C)C
InChIInChI=1S/C12H21N3O/c1-6-9-11(12(16)13-8(3)4)10(7-2)15(5)14-9/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyXZCDISPMNHJFDI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds4

About 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42669892) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID42669892
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1nn(C)c(CC)c1C(=O)NC(C)C
InChIInChI=1S/C12H21N3O/c1-6-9-11(12(16)13-8(3)4)10(7-2)15(5)14-9/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyXZCDISPMNHJFDI-UHFFFAOYSA-N
XLogP1.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (CID 42669892) is 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is CCc1nn(C)c(CC)c1C(=O)NC(C)C.
What is the InChIKey of 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is XZCDISPMNHJFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-9-11(12(16)13-8(3)4)10(7-2)15(5)14-9/h8H,6-7H2,1-5H3,(H,13,16).
What are the key properties of 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42669892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).