N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C22H26N4O2 — CID 38008796

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-4-28-15-18-10-8-17(9-11-18)13-24-22(27)19-14-25-26(21(19)16(2)3)20-7-5-6-12-23-20/h5-12,14,16H,4,13,15H2,1-3H3,(H,24,27)
InChIKeyDRVNGRXQCFMELU-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.86
Rot. Bonds8

About N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 38008796) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID38008796
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-4-28-15-18-10-8-17(9-11-18)13-24-22(27)19-14-25-26(21(19)16(2)3)20-7-5-6-12-23-20/h5-12,14,16H,4,13,15H2,1-3H3,(H,24,27)
InChIKeyDRVNGRXQCFMELU-UHFFFAOYSA-N
XLogP3.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
5-propan-2-yl-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46430520
N-[(2-ethoxy-3-pyridinyl)methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426796
benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
CID 43069999
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide
CID 126824859
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427330
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55666540
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 43070041
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 38008796) is N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CCOCc1ccc(CNC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is DRVNGRXQCFMELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-28-15-18-10-8-17(9-11-18)13-24-22(27)19-14-25-26(21(19)16(2)3)20-7-5-6-12-23-20/h5-12,14,16H,4,13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38008796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).