N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide

C15H19N3O — CID 110336165

IUPACN,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C15H19N3O/c1-4-18(5-2)15(19)13-11-14(17(3)16-13)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyGIPZBVFTXLMCBT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds4

About N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide

N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 110336165) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID110336165
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C15H19N3O/c1-4-18(5-2)15(19)13-11-14(17(3)16-13)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyGIPZBVFTXLMCBT-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide (CID 110336165) is N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide is CCN(CC)C(=O)c1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is GIPZBVFTXLMCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-18(5-2)15(19)13-11-14(17(3)16-13)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide?
N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 110336165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).