5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione

C18H21FN4O2 — CID 167758065

IUPAC5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione
SMILESCc1[nH]ncc1CCCN1C(=O)NCC(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H21FN4O2/c1-12-14(11-21-22-12)3-2-8-23-17(24)15(10-20-18(23)25)9-13-4-6-16(19)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,20,25)(H,21,22)
InChIKeyWQFWNNCPTCBASJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.20
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione

5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione (PubChem CID 167758065) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione
PubChem CID167758065
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione
SMILESCc1[nH]ncc1CCCN1C(=O)NCC(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H21FN4O2/c1-12-14(11-21-22-12)3-2-8-23-17(24)15(10-20-18(23)25)9-13-4-6-16(19)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,20,25)(H,21,22)
InChIKeyWQFWNNCPTCBASJ-UHFFFAOYSA-N
XLogP2.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione (CID 167758065) is 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione is Cc1[nH]ncc1CCCN1C(=O)NCC(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione?
The InChIKey is WQFWNNCPTCBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-14(11-21-22-12)3-2-8-23-17(24)15(10-20-18(23)25)9-13-4-6-16(19)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione has a molecular weight of 344.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167758065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).