1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea

C16H15N5O2 — CID 166226370

IUPAC1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)Nc1ccn[nH]1
InChIInChI=1S/C16H15N5O2/c22-15-3-1-2-10-21(15)11-12-4-6-13(7-5-12)18-16(23)19-14-8-9-17-20-14/h1-10H,11H2,(H3,17,18,19,20,23)
InChIKeyNGIPWJNEFOERFR-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.26
Rot. Bonds4

About 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea

1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea (PubChem CID 166226370) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea
PubChem CID166226370
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)Nc1ccn[nH]1
InChIInChI=1S/C16H15N5O2/c22-15-3-1-2-10-21(15)11-12-4-6-13(7-5-12)18-16(23)19-14-8-9-17-20-14/h1-10H,11H2,(H3,17,18,19,20,23)
InChIKeyNGIPWJNEFOERFR-UHFFFAOYSA-N
XLogP2.26
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea (CID 166226370) is 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea is O=C(Nc1ccc(Cn2ccccc2=O)cc1)Nc1ccn[nH]1.
What is the InChIKey of 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea?
The InChIKey is NGIPWJNEFOERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-15-3-1-2-10-21(15)11-12-4-6-13(7-5-12)18-16(23)19-14-8-9-17-20-14/h1-10H,11H2,(H3,17,18,19,20,23).
What are the key properties of 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea?
1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea has a molecular weight of 309.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 166226370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).