N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

C24H28FN5O2 — CID 56539419

IUPACN-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCC(C(=O)NC(=O)NCc1ccccc1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C24H28FN5O2/c1-17(23(31)27-24(32)26-16-18-7-4-3-5-8-18)30(2)14-6-9-21-15-22(29-28-21)19-10-12-20(25)13-11-19/h3-5,7-8,10-13,15,17H,6,9,14,16H2,1-2H3,(H,28,29)(H2,26,27,31,32)
InChIKeyGLVBQRWNQKLWJQ-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.49
Rot. Bonds9

About N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (PubChem CID 56539419) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
PubChem CID56539419
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC NameN-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCC(C(=O)NC(=O)NCc1ccccc1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C24H28FN5O2/c1-17(23(31)27-24(32)26-16-18-7-4-3-5-8-18)30(2)14-6-9-21-15-22(29-28-21)19-10-12-20(25)13-11-19/h3-5,7-8,10-13,15,17H,6,9,14,16H2,1-2H3,(H,28,29)(H2,26,27,31,32)
InChIKeyGLVBQRWNQKLWJQ-UHFFFAOYSA-N
XLogP3.49
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 56571156
N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539774
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539527
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
N-[(4-chlorophenyl)methyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539714
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
CID 56539587
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 56539806
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 56539493
N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112798459
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86971737
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (CID 56539419) is N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is CC(C(=O)NC(=O)NCc1ccccc1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The InChIKey is GLVBQRWNQKLWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-17(23(31)27-24(32)26-16-18-7-4-3-5-8-18)30(2)14-6-9-21-15-22(29-28-21)19-10-12-20(25)13-11-19/h3-5,7-8,10-13,15,17H,6,9,14,16H2,1-2H3,(H,28,29)(H2,26,27,31,32).
What are the key properties of N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide has a molecular weight of 437.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is sourced from PubChem (CID 56539419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).