2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide

C16H21ClN4O — CID 167891481

IUPAC2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)NCCn2cc(Cl)cn2)cc1
InChIInChI=1S/C16H21ClN4O/c1-3-13-4-6-15(7-5-13)20-16(22)12(2)18-8-9-21-11-14(17)10-19-21/h4-7,10-12,18H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyURGJJGHWWDSGJC-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.72
Rot. Bonds7

About 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide

2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide (PubChem CID 167891481) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide
PubChem CID167891481
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)NCCn2cc(Cl)cn2)cc1
InChIInChI=1S/C16H21ClN4O/c1-3-13-4-6-15(7-5-13)20-16(22)12(2)18-8-9-21-11-14(17)10-19-21/h4-7,10-12,18H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyURGJJGHWWDSGJC-UHFFFAOYSA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide (CID 167891481) is 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)C(C)NCCn2cc(Cl)cn2)cc1.
What is the InChIKey of 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide?
The InChIKey is URGJJGHWWDSGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-3-13-4-6-15(7-5-13)20-16(22)12(2)18-8-9-21-11-14(17)10-19-21/h4-7,10-12,18H,3,8-9H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide?
2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide has a molecular weight of 320.82 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 167891481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).