4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate

C15H19N3O2 — CID 123424645

IUPAC4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate
SMILESCC(CC(C)c1cc(N)n[nH]1)OC(=O)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10(13-9-14(16)18-17-13)8-11(2)20-15(19)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H3,16,17,18)
InChIKeyKVOYQYODHLMNRX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.73
Rot. Bonds5

About 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate

4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate (PubChem CID 123424645) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate
PubChem CID123424645
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate
SMILESCC(CC(C)c1cc(N)n[nH]1)OC(=O)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10(13-9-14(16)18-17-13)8-11(2)20-15(19)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H3,16,17,18)
InChIKeyKVOYQYODHLMNRX-UHFFFAOYSA-N
XLogP2.73
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethoxybutan-2-yl benzoate
CID 10657559
4-(ethylamino)pentan-2-yl benzoate
CID 90020670
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
4-(2-oxo-2-phenylacetyl)oxypentan-2-yl benzoate
CID 90416875
1-(2-methylpropanoyloxy)propan-2-yl benzoate
CID 142753435
1-phenylethyl 3-amino-1H-pyrazole-5-carboxylate
CID 64526035
[(2S)-pentan-2-yl] benzoate
CID 101019298
2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
1-(cyclobutadienyl)propan-2-yl benzoate
CID 144691187
[(2R,4S,6S,8S)-4,6,8-trimethyltetracosan-2-yl] benzoate
CID 122231048
1-benzoylperoxypropan-2-yl benzoate
CID 175513779
1-phenoxypropan-2-yl benzoate
CID 59854364

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate?
The IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate (CID 123424645) is 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate.
What is the SMILES notation for 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate?
The canonical SMILES for 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate is CC(CC(C)c1cc(N)n[nH]1)OC(=O)c1ccccc1.
What is the InChIKey of 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate?
The InChIKey is KVOYQYODHLMNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(13-9-14(16)18-17-13)8-11(2)20-15(19)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H3,16,17,18).
What are the key properties of 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate?
4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate has a molecular weight of 273.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazol-5-yl)pentan-2-yl benzoate is sourced from PubChem (CID 123424645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).