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

C18H25N5O2 — CID 71797598

IUPAC1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C18H25N5O2/c1-25-11-10-20-18(24)21-13-15-12-17(14-6-8-19-9-7-14)23(22-15)16-4-2-3-5-16/h6-9,12,16H,2-5,10-11,13H2,1H3,(H2,20,21,24)
InChIKeyKJFSYLHMVCLEQP-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.51
Rot. Bonds7

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

1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea (PubChem CID 71797598) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea
PubChem CID71797598
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C18H25N5O2/c1-25-11-10-20-18(24)21-13-15-12-17(14-6-8-19-9-7-14)23(22-15)16-4-2-3-5-16/h6-9,12,16H,2-5,10-11,13H2,1H3,(H2,20,21,24)
InChIKeyKJFSYLHMVCLEQP-UHFFFAOYSA-N
XLogP2.51
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea (CID 71797598) is 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The InChIKey is KJFSYLHMVCLEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-25-11-10-20-18(24)21-13-15-12-17(14-6-8-19-9-7-14)23(22-15)16-4-2-3-5-16/h6-9,12,16H,2-5,10-11,13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.51, 7 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-methoxyethyl)urea is sourced from PubChem (CID 71797598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).