1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione

C15H22N4O2 — CID 43637603

IUPAC1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
SMILESCn1cc(NC2CC(=O)N(C3CCCCCC3)C2=O)cn1
InChIInChI=1S/C15H22N4O2/c1-18-10-11(9-16-18)17-13-8-14(20)19(15(13)21)12-6-4-2-3-5-7-12/h9-10,12-13,17H,2-8H2,1H3
InChIKeyQMGPHRQQVLHWKF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.68
Rot. Bonds3

About 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione

1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione (PubChem CID 43637603) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
PubChem CID43637603
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
SMILESCn1cc(NC2CC(=O)N(C3CCCCCC3)C2=O)cn1
InChIInChI=1S/C15H22N4O2/c1-18-10-11(9-16-18)17-13-8-14(20)19(15(13)21)12-6-4-2-3-5-7-12/h9-10,12-13,17H,2-8H2,1H3
InChIKeyQMGPHRQQVLHWKF-UHFFFAOYSA-N
XLogP1.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.68
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

1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione
CID 62903654
3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
CID 43637410
(3R)-1-cyclopentyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 7456009
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-cyclohexylpyrrolidine-2,5-dione
CID 7456103
N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
CID 79770473
4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637380
3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione
CID 60784180
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 63302271
1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166039

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione (CID 43637603) is 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione is Cn1cc(NC2CC(=O)N(C3CCCCCC3)C2=O)cn1.
What is the InChIKey of 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is QMGPHRQQVLHWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-10-11(9-16-18)17-13-8-14(20)19(15(13)21)12-6-4-2-3-5-7-12/h9-10,12-13,17H,2-8H2,1H3.
What are the key properties of 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione?
1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 290.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43637603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).