1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea

C24H23N5O — CID 122275518

IUPAC1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
SMILESCn1cc(-c2ncccc2CNC(=O)NC(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H23N5O/c1-29-17-21(16-27-29)22-20(13-8-14-25-22)15-26-24(30)28-23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,16-17,23H,15H2,1H3,(H2,26,28,30)
InChIKeyOCRFFWGHSXILLG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.07
Rot. Bonds6

About 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea

1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea (PubChem CID 122275518) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
PubChem CID122275518
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
SMILESCn1cc(-c2ncccc2CNC(=O)NC(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H23N5O/c1-29-17-21(16-27-29)22-20(13-8-14-25-22)15-26-24(30)28-23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,16-17,23H,15H2,1H3,(H2,26,28,30)
InChIKeyOCRFFWGHSXILLG-UHFFFAOYSA-N
XLogP4.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea (CID 122275518) is 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea is Cn1cc(-c2ncccc2CNC(=O)NC(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The InChIKey is OCRFFWGHSXILLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-29-17-21(16-27-29)22-20(13-8-14-25-22)15-26-24(30)28-23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,16-17,23H,15H2,1H3,(H2,26,28,30).
What are the key properties of 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea has a molecular weight of 397.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 122275518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).