N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide

C17H21N3O2 — CID 129403639

IUPACN-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-2-20(12-14-9-6-10-22-14)17(21)15-11-18-19-16(15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyGRQJQLCQTRYKHQ-CQSZACIVSA-N
MW299.37 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 129403639) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID129403639
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-2-20(12-14-9-6-10-22-14)17(21)15-11-18-19-16(15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyGRQJQLCQTRYKHQ-CQSZACIVSA-N
XLogP2.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 129403639) is N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is CCN(C[C@H]1CCCO1)C(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is GRQJQLCQTRYKHQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-20(12-14-9-6-10-22-14)17(21)15-11-18-19-16(15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129403639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).