2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide

C19H18Cl2N4O — CID 69260729

IUPAC2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)c1ccc(Cl)cc1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H18Cl2N4O/c1-3-24(19(26)13(2)14-6-8-15(20)9-7-14)17-12-25(23-18(17)21)16-5-4-10-22-11-16/h4-13H,3H2,1-2H3
InChIKeyGIDPWVRJNCSMNT-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.73
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide

2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide (PubChem CID 69260729) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide
PubChem CID69260729
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)c1ccc(Cl)cc1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H18Cl2N4O/c1-3-24(19(26)13(2)14-6-8-15(20)9-7-14)17-12-25(23-18(17)21)16-5-4-10-22-11-16/h4-13H,3H2,1-2H3
InChIKeyGIDPWVRJNCSMNT-UHFFFAOYSA-N
XLogP4.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide (CID 69260729) is 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide is CCN(C(=O)C(C)c1ccc(Cl)cc1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide?
The InChIKey is GIDPWVRJNCSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-3-24(19(26)13(2)14-6-8-15(20)9-7-14)17-12-25(23-18(17)21)16-5-4-10-22-11-16/h4-13H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide?
2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide has a molecular weight of 389.29 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide is sourced from PubChem (CID 69260729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).