1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea

C18H19N5O — CID 90555827

IUPAC1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
SMILESCn1nc(CNC(=O)NCc2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C18H19N5O/c1-23-17(16-9-5-6-10-19-16)11-15(22-23)13-21-18(24)20-12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H2,20,21,24)
InChIKeyACRBHWXDLQYHOX-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.48
Rot. Bonds5

About 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea

1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea (PubChem CID 90555827) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
PubChem CID90555827
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
SMILESCn1nc(CNC(=O)NCc2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C18H19N5O/c1-23-17(16-9-5-6-10-19-16)11-15(22-23)13-21-18(24)20-12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H2,20,21,24)
InChIKeyACRBHWXDLQYHOX-UHFFFAOYSA-N
XLogP2.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
2-benzylsulfanyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797633
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555638
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71797639
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]prop-2-enamide
CID 71797641
2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 90555700

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea (CID 90555827) is 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea is Cn1nc(CNC(=O)NCc2ccccc2)cc1-c1ccccn1.
What is the InChIKey of 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea?
The InChIKey is ACRBHWXDLQYHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-23-17(16-9-5-6-10-19-16)11-15(22-23)13-21-18(24)20-12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea?
1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea has a molecular weight of 321.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 90555827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).