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

C23H29FN6O — CID 56539454

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C23H29FN6O/c1-29(16-23(31)26-22-12-13-25-30(22)20-6-2-3-7-20)14-4-5-19-15-21(28-27-19)17-8-10-18(24)11-9-17/h8-13,15,20H,2-7,14,16H2,1H3,(H,26,31)(H,27,28)
InChIKeySNACTWFSHHORKN-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.03
Rot. Bonds9

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

N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide (PubChem CID 56539454) has the molecular formula C23H29FN6O and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
PubChem CID56539454
Molecular FormulaC23H29FN6O
Molecular Weight424.52 g/mol
Exact Mass424.24
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C23H29FN6O/c1-29(16-23(31)26-22-12-13-25-30(22)20-6-2-3-7-20)14-4-5-19-15-21(28-27-19)17-8-10-18(24)11-9-17/h8-13,15,20H,2-7,14,16H2,1H3,(H,26,31)(H,27,28)
InChIKeySNACTWFSHHORKN-UHFFFAOYSA-N
XLogP4.03
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111496830
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56571223
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide
CID 56570898
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
CID 56539587
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9437889
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 56539493
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 56539806
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665106
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663739

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide (CID 56539454) is N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The InChIKey is SNACTWFSHHORKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O/c1-29(16-23(31)26-22-12-13-25-30(22)20-6-2-3-7-20)14-4-5-19-15-21(28-27-19)17-8-10-18(24)11-9-17/h8-13,15,20H,2-7,14,16H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide has a molecular weight of 424.52 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide is sourced from PubChem (CID 56539454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).