N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

C24H26FN7O — CID 86971737

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C24H26FN7O/c1-17-26-29-30-32(17)23(15-18-7-4-3-5-8-18)24(33)31(2)14-6-9-21-16-22(28-27-21)19-10-12-20(25)13-11-19/h3-5,7-8,10-13,16,23H,6,9,14-15H2,1-2H3,(H,27,28)
InChIKeyJOOOJDOOSLSIFZ-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.39
Rot. Bonds9

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (PubChem CID 86971737) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
PubChem CID86971737
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C24H26FN7O/c1-17-26-29-30-32(17)23(15-18-7-4-3-5-8-18)24(33)31(2)14-6-9-21-16-22(28-27-21)19-10-12-20(25)13-11-19/h3-5,7-8,10-13,16,23H,6,9,14-15H2,1-2H3,(H,27,28)
InChIKeyJOOOJDOOSLSIFZ-UHFFFAOYSA-N
XLogP3.39
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 95771504
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 87020189
N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47070429
N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539419
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55766740
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 55867788

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (CID 86971737) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is Cc1nnnn1C(Cc1ccccc1)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The InChIKey is JOOOJDOOSLSIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-17-26-29-30-32(17)23(15-18-7-4-3-5-8-18)24(33)31(2)14-6-9-21-16-22(28-27-21)19-10-12-20(25)13-11-19/h3-5,7-8,10-13,16,23H,6,9,14-15H2,1-2H3,(H,27,28).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide has a molecular weight of 447.52 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 86971737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).