3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide

C24H22N4O3 — CID 42157664

IUPAC3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C24H22N4O3/c29-24(25-18-8-10-19(11-9-18)27-12-15-30-16-13-27)22-17-21(23-7-4-14-31-23)26-28(22)20-5-2-1-3-6-20/h1-11,14,17H,12-13,15-16H2,(H,25,29)
InChIKeyGHKNFKNKHNARMF-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.22
Rot. Bonds5

About 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide

3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 42157664) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
PubChem CID42157664
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C24H22N4O3/c29-24(25-18-8-10-19(11-9-18)27-12-15-30-16-13-27)22-17-21(23-7-4-14-31-23)26-28(22)20-5-2-1-3-6-20/h1-11,14,17H,12-13,15-16H2,(H,25,29)
InChIKeyGHKNFKNKHNARMF-UHFFFAOYSA-N
XLogP4.22
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 24586512
3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 78890017
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893
3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
CID 46569851
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42762271
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55664409
3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-5-carboxamide
CID 46679794
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
6-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24574898
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 49067429
3-(furan-2-yl)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3293826

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide (CID 42157664) is 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is GHKNFKNKHNARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-24(25-18-8-10-19(11-9-18)27-12-15-30-16-13-27)22-17-21(23-7-4-14-31-23)26-28(22)20-5-2-1-3-6-20/h1-11,14,17H,12-13,15-16H2,(H,25,29).
What are the key properties of 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide?
3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42157664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).