N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

C22H27FN4O — CID 55744895

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1
InChIInChI=1S/C22H27FN4O/c1-14(13-26-16(3)10-15(2)25-26)12-24-22(28)21-11-17(4)27(18(21)5)20-8-6-19(23)7-9-20/h6-11,14H,12-13H2,1-5H3,(H,24,28)
InChIKeyWNBPUWPSUFKTJK-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.11
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55744895) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55744895
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1
InChIInChI=1S/C22H27FN4O/c1-14(13-26-16(3)10-15(2)25-26)12-24-22(28)21-11-17(4)27(18(21)5)20-8-6-19(23)7-9-20/h6-11,14H,12-13H2,1-5H3,(H,24,28)
InChIKeyWNBPUWPSUFKTJK-UHFFFAOYSA-N
XLogP4.11
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-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

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
N-[(2R)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003403
N-[(2S)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003402
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468
1-(4-fluorophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide;hydrochloride
CID 119502796
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide
CID 94732187
1-(4-fluorophenyl)-2,5-dimethyl-N-[3-(methylamino)propyl]pyrrole-3-carboxamide;hydrochloride
CID 119432577
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
CID 94028950
1-(4-chlorophenyl)-2,5-dimethyl-N-[2-(methylamino)propyl]pyrrole-3-carboxamide
CID 120826815
1-(2-cyano-4-fluorophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 78896585

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 55744895) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is WNBPUWPSUFKTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-14(13-26-16(3)10-15(2)25-26)12-24-22(28)21-11-17(4)27(18(21)5)20-8-6-19(23)7-9-20/h6-11,14H,12-13H2,1-5H3,(H,24,28).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55744895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).