2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide

C20H20Cl2N4O2 — CID 23730230

IUPAC2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20Cl2N4O2/c21-15-3-1-14(2-4-15)19-13-18(20(27)24-25-9-11-28-12-10-25)23-26(19)17-7-5-16(22)6-8-17/h1-8,19H,9-13H2,(H,24,27)
InChIKeyPWICXUFZUYFPEW-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.66
Rot. Bonds4

About 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide

2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 23730230) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID23730230
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20Cl2N4O2/c21-15-3-1-14(2-4-15)19-13-18(20(27)24-25-9-11-28-12-10-25)23-26(19)17-7-5-16(22)6-8-17/h1-8,19H,9-13H2,(H,24,27)
InChIKeyPWICXUFZUYFPEW-UHFFFAOYSA-N
XLogP3.66
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide (CID 23730230) is 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCOCC1)C1=NN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is PWICXUFZUYFPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c21-15-3-1-14(2-4-15)19-13-18(20(27)24-25-9-11-28-12-10-25)23-26(19)17-7-5-16(22)6-8-17/h1-8,19H,9-13H2,(H,24,27).
What are the key properties of 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide?
2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 419.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-N-morpholin-4-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 23730230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).