5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H26N6O3 — CID 141489084

IUPAC5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)C[C@@H]2C)n[nH]1
InChIInChI=1S/C18H26N6O3/c1-11-9-14(22-21-11)24-8-7-23(10-12(24)2)15(25)5-6-18(13-3-4-13)16(26)19-17(27)20-18/h9,12-13H,3-8,10H2,1-2H3,(H,21,22)(H2,19,20,26,27)/t12-,18?/m0/s1
InChIKeyAJKCUWVEJNOJMK-RSXQAXDFSA-N
MW374.45 g/mol
LogP0.52
Rot. Bonds5

About 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 141489084) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID141489084
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)C[C@@H]2C)n[nH]1
InChIInChI=1S/C18H26N6O3/c1-11-9-14(22-21-11)24-8-7-23(10-12(24)2)15(25)5-6-18(13-3-4-13)16(26)19-17(27)20-18/h9,12-13H,3-8,10H2,1-2H3,(H,21,22)(H2,19,20,26,27)/t12-,18?/m0/s1
InChIKeyAJKCUWVEJNOJMK-RSXQAXDFSA-N
XLogP0.52
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 141489084) is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1cc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)C[C@@H]2C)n[nH]1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is AJKCUWVEJNOJMK-RSXQAXDFSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-11-9-14(22-21-11)24-8-7-23(10-12(24)2)15(25)5-6-18(13-3-4-13)16(26)19-17(27)20-18/h9,12-13H,3-8,10H2,1-2H3,(H,21,22)(H2,19,20,26,27)/t12-,18?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 374.45 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 141489084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).