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

C20H21ClN4O2 — CID 23730231

IUPAC3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCOCC1)C1=NN(c2ccccc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN4O2/c21-16-8-6-15(7-9-16)19-14-18(20(26)23-24-10-12-27-13-11-24)22-25(19)17-4-2-1-3-5-17/h1-9,19H,10-14H2,(H,23,26)
InChIKeyZBWVCIQQEVESKC-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.01
Rot. Bonds4

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

3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 23730231) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID23730231
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCOCC1)C1=NN(c2ccccc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN4O2/c21-16-8-6-15(7-9-16)19-14-18(20(26)23-24-10-12-27-13-11-24)22-25(19)17-4-2-1-3-5-17/h1-9,19H,10-14H2,(H,23,26)
InChIKeyZBWVCIQQEVESKC-UHFFFAOYSA-N
XLogP3.01
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 23730231) is 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCOCC1)C1=NN(c2ccccc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is ZBWVCIQQEVESKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-16-8-6-15(7-9-16)19-14-18(20(26)23-24-10-12-27-13-11-24)22-25(19)17-4-2-1-3-5-17/h1-9,19H,10-14H2,(H,23,26).
What are the key properties of 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-morpholin-4-yl-2-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 23730231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).