1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea

C14H15FN4O2 — CID 97428185

IUPAC1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)Nc1ccccc1F
InChIInChI=1S/C14H15FN4O2/c15-12-3-1-2-4-13(12)18-14(20)17-10-7-16-19(8-10)11-5-6-21-9-11/h1-4,7-8,11H,5-6,9H2,(H2,17,18,20)/t11-/m1/s1
InChIKeyYLYPTGRYQVUELY-LLVKDONJSA-N
MW290.30 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea

1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea (PubChem CID 97428185) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
PubChem CID97428185
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
SMILESO=C(Nc1cnn([C@@H]2CCOC2)c1)Nc1ccccc1F
InChIInChI=1S/C14H15FN4O2/c15-12-3-1-2-4-13(12)18-14(20)17-10-7-16-19(8-10)11-5-6-21-9-11/h1-4,7-8,11H,5-6,9H2,(H2,17,18,20)/t11-/m1/s1
InChIKeyYLYPTGRYQVUELY-LLVKDONJSA-N
XLogP2.63
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428040
1-naphthalen-1-yl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597839
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide
CID 71810092
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719654

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea (CID 97428185) is 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea is O=C(Nc1cnn([C@@H]2CCOC2)c1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea?
The InChIKey is YLYPTGRYQVUELY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-12-3-1-2-4-13(12)18-14(20)17-10-7-16-19(8-10)11-5-6-21-9-11/h1-4,7-8,11H,5-6,9H2,(H2,17,18,20)/t11-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea?
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea has a molecular weight of 290.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea is sourced from PubChem (CID 97428185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).