N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide

C15H19N3O3 — CID 3600852

IUPACN-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCOC(CNC(=O)c1cc(C)nn1-c1ccccc1)OC
InChIInChI=1S/C15H19N3O3/c1-11-9-13(15(19)16-10-14(20-2)21-3)18(17-11)12-7-5-4-6-8-12/h4-9,14H,10H2,1-3H3,(H,16,19)
InChIKeyLJJNBPOWDPCTGK-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.53
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide

N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 3600852) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID3600852
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCOC(CNC(=O)c1cc(C)nn1-c1ccccc1)OC
InChIInChI=1S/C15H19N3O3/c1-11-9-13(15(19)16-10-14(20-2)21-3)18(17-11)12-7-5-4-6-8-12/h4-9,14H,10H2,1-3H3,(H,16,19)
InChIKeyLJJNBPOWDPCTGK-UHFFFAOYSA-N
XLogP1.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide (CID 3600852) is N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide is COC(CNC(=O)c1cc(C)nn1-c1ccccc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is LJJNBPOWDPCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-9-13(15(19)16-10-14(20-2)21-3)18(17-11)12-7-5-4-6-8-12/h4-9,14H,10H2,1-3H3,(H,16,19).
What are the key properties of N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 3600852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).