N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C23H29N5O — CID 46427330

IUPACN-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCN(CCCNC(=O)c1cnn(-c2ccccn2)c1C(C)C)c1ccccc1
InChIInChI=1S/C23H29N5O/c1-4-27(19-11-6-5-7-12-19)16-10-15-25-23(29)20-17-26-28(22(20)18(2)3)21-13-8-9-14-24-21/h5-9,11-14,17-18H,4,10,15-16H2,1-3H3,(H,25,29)
InChIKeyYEYMFFBAXSCWTI-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.04
Rot. Bonds9

About N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 46427330) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID46427330
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCN(CCCNC(=O)c1cnn(-c2ccccn2)c1C(C)C)c1ccccc1
InChIInChI=1S/C23H29N5O/c1-4-27(19-11-6-5-7-12-19)16-10-15-25-23(29)20-17-26-28(22(20)18(2)3)21-13-8-9-14-24-21/h5-9,11-14,17-18H,4,10,15-16H2,1-3H3,(H,25,29)
InChIKeyYEYMFFBAXSCWTI-UHFFFAOYSA-N
XLogP4.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(N-ethylanilino)propyl]-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-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide
CID 126824859
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N-[(2-ethoxy-3-pyridinyl)methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426796
N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38008796
N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39644068
5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
CID 43069999
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813848
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 46427330) is N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CCN(CCCNC(=O)c1cnn(-c2ccccn2)c1C(C)C)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is YEYMFFBAXSCWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-4-27(19-11-6-5-7-12-19)16-10-15-25-23(29)20-17-26-28(22(20)18(2)3)21-13-8-9-14-24-21/h5-9,11-14,17-18H,4,10,15-16H2,1-3H3,(H,25,29).
What are the key properties of N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46427330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).