1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea

C23H27N5O2 — CID 90555537

IUPAC1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C23H27N5O2/c29-23(25-14-15-30-21-8-2-1-3-9-21)26-17-19-16-22(18-10-12-24-13-11-18)28(27-19)20-6-4-5-7-20/h1-3,8-13,16,20H,4-7,14-15,17H2,(H2,25,26,29)
InChIKeySWHDEBVGYXCJDE-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.94
Rot. Bonds8

About 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea

1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea (PubChem CID 90555537) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
PubChem CID90555537
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C23H27N5O2/c29-23(25-14-15-30-21-8-2-1-3-9-21)26-17-19-16-22(18-10-12-24-13-11-18)28(27-19)20-6-4-5-7-20/h1-3,8-13,16,20H,4-7,14-15,17H2,(H2,25,26,29)
InChIKeySWHDEBVGYXCJDE-UHFFFAOYSA-N
XLogP3.94
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 90555311
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
CID 90555288
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 90555336
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 90555550
(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide
CID 97104829
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 90555383
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90555324
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
1-(1-adamantyl)-3-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90556216
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide
CID 90555420
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea (CID 90555537) is 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea is O=C(NCCOc1ccccc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea?
The InChIKey is SWHDEBVGYXCJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-23(25-14-15-30-21-8-2-1-3-9-21)26-17-19-16-22(18-10-12-24-13-11-18)28(27-19)20-6-4-5-7-20/h1-3,8-13,16,20H,4-7,14-15,17H2,(H2,25,26,29).
What are the key properties of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea?
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea has a molecular weight of 405.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 90555537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).