N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide

C23H27N3O3S — CID 55933539

IUPACN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C23H27N3O3S/c1-17(2)30(28,29)22-14-8-7-13-21(22)23(27)24-15-9-10-19-16-26(25-18(19)3)20-11-5-4-6-12-20/h4-8,11-14,16-17H,9-10,15H2,1-3H3,(H,24,27)
InChIKeyAOGBRWFFPVDRSZ-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.73
Rot. Bonds8

About N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide (PubChem CID 55933539) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
PubChem CID55933539
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C23H27N3O3S/c1-17(2)30(28,29)22-14-8-7-13-21(22)23(27)24-15-9-10-19-16-26(25-18(19)3)20-11-5-4-6-12-20/h4-8,11-14,16-17H,9-10,15H2,1-3H3,(H,24,27)
InChIKeyAOGBRWFFPVDRSZ-UHFFFAOYSA-N
XLogP3.73
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
CID 71685784
2-(2-cyanophenyl)sulfanyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 60545040
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711
2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 46426763
6-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55645313
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 46426573
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55721874
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46473758
2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide
CID 46426764

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide (CID 55933539) is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1S(=O)(=O)C(C)C.
What is the InChIKey of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide?
The InChIKey is AOGBRWFFPVDRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17(2)30(28,29)22-14-8-7-13-21(22)23(27)24-15-9-10-19-16-26(25-18(19)3)20-11-5-4-6-12-20/h4-8,11-14,16-17H,9-10,15H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide?
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide has a molecular weight of 425.55 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55933539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).