2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione

C19H24N4O2 — CID 97338517

IUPAC2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
SMILESCCCn1cc(N[C@@H](C)CCCN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C19H24N4O2/c1-3-10-22-13-15(12-20-22)21-14(2)7-6-11-23-18(24)16-8-4-5-9-17(16)19(23)25/h4-5,8-9,12-14,21H,3,6-7,10-11H2,1-2H3/t14-/m0/s1
InChIKeyDQARHGBOKTVQOA-AWEZNQCLSA-N
MW340.43 g/mol
LogP3.17
Rot. Bonds8

About 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione

2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione (PubChem CID 97338517) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
PubChem CID97338517
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
SMILESCCCn1cc(N[C@@H](C)CCCN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C19H24N4O2/c1-3-10-22-13-15(12-20-22)21-14(2)7-6-11-23-18(24)16-8-4-5-9-17(16)19(23)25/h4-5,8-9,12-14,21H,3,6-7,10-11H2,1-2H3/t14-/m0/s1
InChIKeyDQARHGBOKTVQOA-AWEZNQCLSA-N
XLogP3.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
CID 75446840
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
2-[4-(3-fluoro-4-methoxyanilino)pentyl]isoindole-1,3-dione
CID 75472337
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione (CID 97338517) is 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione is CCCn1cc(N[C@@H](C)CCCN2C(=O)c3ccccc3C2=O)cn1.
What is the InChIKey of 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione?
The InChIKey is DQARHGBOKTVQOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-10-22-13-15(12-20-22)21-14(2)7-6-11-23-18(24)16-8-4-5-9-17(16)19(23)25/h4-5,8-9,12-14,21H,3,6-7,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione?
2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione has a molecular weight of 340.43 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione is sourced from PubChem (CID 97338517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).