N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide

C19H15ClN4O2 — CID 56931178

IUPACN-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)co1)C1=NNCC1c1ccccc1
InChIInChI=1S/C19H15ClN4O2/c20-14-8-6-13(7-9-14)16-11-26-19(22-16)23-18(25)17-15(10-21-24-17)12-4-2-1-3-5-12/h1-9,11,15,21H,10H2,(H,22,23,25)
InChIKeyFPGDERGRUOHTAR-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.68
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide

N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide (PubChem CID 56931178) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
PubChem CID56931178
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)co1)C1=NNCC1c1ccccc1
InChIInChI=1S/C19H15ClN4O2/c20-14-8-6-13(7-9-14)16-11-26-19(22-16)23-18(25)17-15(10-21-24-17)12-4-2-1-3-5-12/h1-9,11,15,21H,10H2,(H,22,23,25)
InChIKeyFPGDERGRUOHTAR-UHFFFAOYSA-N
XLogP3.68
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide (CID 56931178) is N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)co1)C1=NNCC1c1ccccc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The InChIKey is FPGDERGRUOHTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-14-8-6-13(7-9-14)16-11-26-19(22-16)23-18(25)17-15(10-21-24-17)12-4-2-1-3-5-12/h1-9,11,15,21H,10H2,(H,22,23,25).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56931178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).