4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide

C23H28N4O2 — CID 166223342

IUPAC4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide
SMILESCC(C)c1ccc(OCCCC(=O)Nc2ccn(CCc3ccncc3)n2)cc1
InChIInChI=1S/C23H28N4O2/c1-18(2)20-5-7-21(8-6-20)29-17-3-4-23(28)25-22-12-16-27(26-22)15-11-19-9-13-24-14-10-19/h5-10,12-14,16,18H,3-4,11,15,17H2,1-2H3,(H,25,26,28)
InChIKeyPDFNEITVOPBDFN-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.44
Rot. Bonds10

About 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide

4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide (PubChem CID 166223342) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide
PubChem CID166223342
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide
SMILESCC(C)c1ccc(OCCCC(=O)Nc2ccn(CCc3ccncc3)n2)cc1
InChIInChI=1S/C23H28N4O2/c1-18(2)20-5-7-21(8-6-20)29-17-3-4-23(28)25-22-12-16-27(26-22)15-11-19-9-13-24-14-10-19/h5-10,12-14,16,18H,3-4,11,15,17H2,1-2H3,(H,25,26,28)
InChIKeyPDFNEITVOPBDFN-UHFFFAOYSA-N
XLogP4.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588058
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
4-bromo-5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 56561605
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111332045
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine
CID 63316417
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 51130808

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide?
The IUPAC name of 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide (CID 166223342) is 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide?
The canonical SMILES for 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide is CC(C)c1ccc(OCCCC(=O)Nc2ccn(CCc3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide?
The InChIKey is PDFNEITVOPBDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18(2)20-5-7-21(8-6-20)29-17-3-4-23(28)25-22-12-16-27(26-22)15-11-19-9-13-24-14-10-19/h5-10,12-14,16,18H,3-4,11,15,17H2,1-2H3,(H,25,26,28).
What are the key properties of 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide?
4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide has a molecular weight of 392.50 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 166223342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).