2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide

C16H20ClN3O — CID 115609317

IUPAC2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
SMILESCCc1cc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)n[nH]1
InChIInChI=1S/C16H20ClN3O/c1-4-13-9-14(20-19-13)18-16(21)15(10(2)3)11-5-7-12(17)8-6-11/h5-10,15H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyRMWRANJRTSKKDS-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide

2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide (PubChem CID 115609317) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
PubChem CID115609317
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
SMILESCCc1cc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)n[nH]1
InChIInChI=1S/C16H20ClN3O/c1-4-13-9-14(20-19-13)18-16(21)15(10(2)3)11-5-7-12(17)8-6-11/h5-10,15H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyRMWRANJRTSKKDS-UHFFFAOYSA-N
XLogP4.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 95325065
3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 115776629
2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
CID 46226160
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
CID 46226178
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 47423250
(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
CID 104617946
2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621102
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 104618025

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide (CID 115609317) is 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide is CCc1cc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)n[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The InChIKey is RMWRANJRTSKKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-13-9-14(20-19-13)18-16(21)15(10(2)3)11-5-7-12(17)8-6-11/h5-10,15H,4H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide?
2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide has a molecular weight of 305.81 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide is sourced from PubChem (CID 115609317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).