1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea

C25H25N5O2 — CID 42873129

IUPAC1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea
SMILESNc1c(NC(=O)NCCOc2ccccc2)c(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C25H25N5O2/c26-24-23(28-25(31)27-16-17-32-21-14-8-3-9-15-21)22(20-12-6-2-7-13-20)29-30(24)18-19-10-4-1-5-11-19/h1-15H,16-18,26H2,(H2,27,28,31)
InChIKeyURBXSDBOZJPAOR-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.38
Rot. Bonds8

About 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea

1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea (PubChem CID 42873129) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea
PubChem CID42873129
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea
SMILESNc1c(NC(=O)NCCOc2ccccc2)c(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C25H25N5O2/c26-24-23(28-25(31)27-16-17-32-21-14-8-3-9-15-21)22(20-12-6-2-7-13-20)29-30(24)18-19-10-4-1-5-11-19/h1-15H,16-18,26H2,(H2,27,28,31)
InChIKeyURBXSDBOZJPAOR-UHFFFAOYSA-N
XLogP4.38
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685078
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685093
1-[5-amino-3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685232
1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-cyclopropylurea
CID 42685065
1-benzylsulfonyl-3-(2-phenoxyethyl)urea
CID 22715531
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-phenoxyethyl)urea
CID 90545898
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 55012849
1-[2-(4-chlorophenoxy)ethyl]-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]urea
CID 86902399

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea (CID 42873129) is 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea is Nc1c(NC(=O)NCCOc2ccccc2)c(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea?
The InChIKey is URBXSDBOZJPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-24-23(28-25(31)27-16-17-32-21-14-8-3-9-15-21)22(20-12-6-2-7-13-20)29-30(24)18-19-10-4-1-5-11-19/h1-15H,16-18,26H2,(H2,27,28,31).
What are the key properties of 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea?
1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea has a molecular weight of 427.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-benzyl-3-phenylpyrazol-4-yl)-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 42873129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).