1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea

C19H19FN4O2 — CID 68562357

IUPAC1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1F)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H19FN4O2/c20-17-10-15(16-11-21-22-12-16)6-7-18(17)23-19(26)24(8-9-25)13-14-4-2-1-3-5-14/h1-7,10-12,25H,8-9,13H2,(H,21,22)(H,23,26)
InChIKeyWQGYKJCPHLVBDM-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.24
Rot. Bonds6

About 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea

1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea (PubChem CID 68562357) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea
PubChem CID68562357
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1F)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H19FN4O2/c20-17-10-15(16-11-21-22-12-16)6-7-18(17)23-19(26)24(8-9-25)13-14-4-2-1-3-5-14/h1-7,10-12,25H,8-9,13H2,(H,21,22)(H,23,26)
InChIKeyWQGYKJCPHLVBDM-UHFFFAOYSA-N
XLogP3.24
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea (CID 68562357) is 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea is O=C(Nc1ccc(-c2cn[nH]c2)cc1F)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is WQGYKJCPHLVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-17-10-15(16-11-21-22-12-16)6-7-18(17)23-19(26)24(8-9-25)13-14-4-2-1-3-5-14/h1-7,10-12,25H,8-9,13H2,(H,21,22)(H,23,26).
What are the key properties of 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 354.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 68562357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).