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

C24H23N5O — CID 122245913

IUPAC1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea
SMILESCn1cc(-c2cc(CNC(=O)NC(c3ccccc3)c3ccccc3)ccn2)cn1
InChIInChI=1S/C24H23N5O/c1-29-17-21(16-27-29)22-14-18(12-13-25-22)15-26-24(30)28-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,16-17,23H,15H2,1H3,(H2,26,28,30)
InChIKeyUIXXXZVHHFEXAG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.07
Rot. Bonds6

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

1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea (PubChem CID 122245913) 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)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea
PubChem CID122245913
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea
SMILESCn1cc(-c2cc(CNC(=O)NC(c3ccccc3)c3ccccc3)ccn2)cn1
InChIInChI=1S/C24H23N5O/c1-29-17-21(16-27-29)22-14-18(12-13-25-22)15-26-24(30)28-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,16-17,23H,15H2,1H3,(H2,26,28,30)
InChIKeyUIXXXZVHHFEXAG-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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Related Compounds

1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
CID 122245887
1-benzhydryl-3-[(2-thiophen-2-yl-4-pyridinyl)methyl]urea
CID 91630384
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 122245906
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 122245890
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide
CID 126853801
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122245898
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 126851452
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea (CID 122245913) is 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea is Cn1cc(-c2cc(CNC(=O)NC(c3ccccc3)c3ccccc3)ccn2)cn1.
What is the InChIKey of 1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea?
The InChIKey is UIXXXZVHHFEXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-29-17-21(16-27-29)22-14-18(12-13-25-22)15-26-24(30)28-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/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)-4-pyridinyl]methyl]urea?
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-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)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 122245913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).