1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea

C14H17FN4O2 — CID 47071649

IUPAC1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea
SMILESCCn1cc(NC(=O)NCc2ccc(CO)c(F)c2)cn1
InChIInChI=1S/C14H17FN4O2/c1-2-19-8-12(7-17-19)18-14(21)16-6-10-3-4-11(9-20)13(15)5-10/h3-5,7-8,20H,2,6,9H2,1H3,(H2,16,18,21)
InChIKeyQPDAACGBYYKHJB-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.86
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea

1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 47071649) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea
PubChem CID47071649
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea
SMILESCCn1cc(NC(=O)NCc2ccc(CO)c(F)c2)cn1
InChIInChI=1S/C14H17FN4O2/c1-2-19-8-12(7-17-19)18-14(21)16-6-10-3-4-11(9-20)13(15)5-10/h3-5,7-8,20H,2,6,9H2,1H3,(H2,16,18,21)
InChIKeyQPDAACGBYYKHJB-UHFFFAOYSA-N
XLogP1.86
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea (CID 47071649) is 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea is CCn1cc(NC(=O)NCc2ccc(CO)c(F)c2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is QPDAACGBYYKHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-2-19-8-12(7-17-19)18-14(21)16-6-10-3-4-11(9-20)13(15)5-10/h3-5,7-8,20H,2,6,9H2,1H3,(H2,16,18,21).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea?
1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 292.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 47071649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).