3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide

C22H18N4O4 — CID 1053683

IUPAC3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C22H18N4O4/c1-15(16-6-3-2-4-7-16)23-22(27)20-14-19(21-8-5-13-30-21)24-25(20)17-9-11-18(12-10-17)26(28)29/h2-15H,1H3,(H,23,27)/t15-/m0/s1
InChIKeyFCDQSWVFAXCSAD-HNNXBMFYSA-N
MW402.41 g/mol
LogP4.53
Rot. Bonds6

About 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide

3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide (PubChem CID 1053683) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
PubChem CID1053683
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C22H18N4O4/c1-15(16-6-3-2-4-7-16)23-22(27)20-14-19(21-8-5-13-30-21)24-25(20)17-9-11-18(12-10-17)26(28)29/h2-15H,1H3,(H,23,27)/t15-/m0/s1
InChIKeyFCDQSWVFAXCSAD-HNNXBMFYSA-N
XLogP4.53
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(furan-2-yl)-1-(4-methylphenyl)-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 3692522
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053790
N-[(2R)-3-methylbutan-2-yl]-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 7397683
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 7404675
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide
CID 167548571
[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3470486
(4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone
CID 1053696
1-(4-chlorophenyl)-N-(3,3-diphenylpropyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42662908
3-(3,4-dimethylphenyl)-N-(1,2-diphenylethyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3946638
3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
CID 55975353

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide (CID 1053683) is 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The InChIKey is FCDQSWVFAXCSAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-15(16-6-3-2-4-7-16)23-22(27)20-14-19(21-8-5-13-30-21)24-25(20)17-9-11-18(12-10-17)26(28)29/h2-15H,1H3,(H,23,27)/t15-/m0/s1.
What are the key properties of 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 1053683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).