4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide

C23H23FN4O — CID 56895385

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cc2)n1
InChIInChI=1S/C23H23FN4O/c1-15-10-16(2)28(26-15)13-17-4-6-18(7-5-17)23(29)27(3)14-21-12-19-11-20(24)8-9-22(19)25-21/h4-12,25H,13-14H2,1-3H3
InChIKeyHTCMQPIQMRVHSO-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.44
Rot. Bonds5

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide (PubChem CID 56895385) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide
PubChem CID56895385
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cc2)n1
InChIInChI=1S/C23H23FN4O/c1-15-10-16(2)28(26-15)13-17-4-6-18(7-5-17)23(29)27(3)14-21-12-19-11-20(24)8-9-22(19)25-21/h4-12,25H,13-14H2,1-3H3
InChIKeyHTCMQPIQMRVHSO-UHFFFAOYSA-N
XLogP4.44
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide 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-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
CID 56902329
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 49024423
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide
CID 156585037
2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200513
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide
CID 90653942
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146039353
N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119581708
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate
CID 37411683
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 56908077
4-(1,3-dihydroisoindol-2-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbutanamide
CID 91784110

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide (CID 56895385) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide is Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide?
The InChIKey is HTCMQPIQMRVHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-15-10-16(2)28(26-15)13-17-4-6-18(7-5-17)23(29)27(3)14-21-12-19-11-20(24)8-9-22(19)25-21/h4-12,25H,13-14H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide has a molecular weight of 390.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 56895385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).