[4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea

C15H12ClN5O — CID 70975434

IUPAC[4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2ccnn2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C15H12ClN5O/c16-11-2-1-3-12(9-11)21-13(5-7-19-21)10-4-6-18-14(8-10)20-15(17)22/h1-9H,(H3,17,18,20,22)
InChIKeyLSVAIJRODPJBHA-UHFFFAOYSA-N
MW313.75 g/mol
LogP3.08
Rot. Bonds3

About [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea

[4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea (PubChem CID 70975434) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
PubChem CID70975434
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name[4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2ccnn2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C15H12ClN5O/c16-11-2-1-3-12(9-11)21-13(5-7-19-21)10-4-6-18-14(8-10)20-15(17)22/h1-9H,(H3,17,18,20,22)
InChIKeyLSVAIJRODPJBHA-UHFFFAOYSA-N
XLogP3.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea?
The IUPAC name of [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea (CID 70975434) is [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea?
The canonical SMILES for [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea is NC(=O)Nc1cc(-c2ccnn2-c2cccc(Cl)c2)ccn1.
What is the InChIKey of [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea?
The InChIKey is LSVAIJRODPJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-11-2-1-3-12(9-11)21-13(5-7-19-21)10-4-6-18-14(8-10)20-15(17)22/h1-9H,(H3,17,18,20,22).
What are the key properties of [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea?
[4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea has a molecular weight of 313.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea is sourced from PubChem (CID 70975434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).