1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea

C9H15FN4O — CID 25119847

IUPAC1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea
SMILESCc1cc(CNC(=O)NCCF)nn1C
InChIInChI=1S/C9H15FN4O/c1-7-5-8(13-14(7)2)6-12-9(15)11-4-3-10/h5H,3-4,6H2,1-2H3,(H2,11,12,15)
InChIKeyMDBNJNFKUNJEJZ-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.50
Rot. Bonds4

About 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea

1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea (PubChem CID 25119847) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea
PubChem CID25119847
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea
SMILESCc1cc(CNC(=O)NCCF)nn1C
InChIInChI=1S/C9H15FN4O/c1-7-5-8(13-14(7)2)6-12-9(15)11-4-3-10/h5H,3-4,6H2,1-2H3,(H2,11,12,15)
InChIKeyMDBNJNFKUNJEJZ-UHFFFAOYSA-N
XLogP0.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea (CID 25119847) is 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea is Cc1cc(CNC(=O)NCCF)nn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea?
The InChIKey is MDBNJNFKUNJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-7-5-8(13-14(7)2)6-12-9(15)11-4-3-10/h5H,3-4,6H2,1-2H3,(H2,11,12,15).
What are the key properties of 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea?
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea has a molecular weight of 214.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25119847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).