3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide

C25H26F2N6O2 — CID 10127996

IUPAC3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCNC(=O)c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C25H26F2N6O2/c1-2-28-24(35)33-25(17-7-4-3-5-8-17,11-6-12-31-23(34)22-29-13-14-30-22)16-21(32-33)19-15-18(26)9-10-20(19)27/h3-5,7-10,13-15H,2,6,11-12,16H2,1H3,(H,28,35)(H,29,30)(H,31,34)
InChIKeyKKHHWFWDQMIQKT-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.93
Rot. Bonds8

About 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide

3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 10127996) has the molecular formula C25H26F2N6O2 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide
PubChem CID10127996
Molecular FormulaC25H26F2N6O2
Molecular Weight480.52 g/mol
Exact Mass480.21
IUPAC Name3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCNC(=O)c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C25H26F2N6O2/c1-2-28-24(35)33-25(17-7-4-3-5-8-17,11-6-12-31-23(34)22-29-13-14-30-22)16-21(32-33)19-15-18(26)9-10-20(19)27/h3-5,7-10,13-15H,2,6,11-12,16H2,1H3,(H,28,35)(H,29,30)(H,31,34)
InChIKeyKKHHWFWDQMIQKT-UHFFFAOYSA-N
XLogP3.93
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide (CID 10127996) is 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide is CCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCCNC(=O)c1ncc[nH]1)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is KKHHWFWDQMIQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O2/c1-2-28-24(35)33-25(17-7-4-3-5-8-17,11-6-12-31-23(34)22-29-13-14-30-22)16-21(32-33)19-15-18(26)9-10-20(19)27/h3-5,7-10,13-15H,2,6,11-12,16H2,1H3,(H,28,35)(H,29,30)(H,31,34).
What are the key properties of 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide?
3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-ethyl-5-[3-(1H-imidazole-2-carbonylamino)propyl]-5-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 10127996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).