1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea

C17H23N5O2 — CID 51080214

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NCc2cccnc2OC2CCCC2)n(C)n1
InChIInChI=1S/C17H23N5O2/c1-12-10-15(22(2)21-12)20-17(23)19-11-13-6-5-9-18-16(13)24-14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H2,19,20,23)
InChIKeyZNCYDUJRFXMIMM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.77
Rot. Bonds5

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 51080214) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID51080214
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NCc2cccnc2OC2CCCC2)n(C)n1
InChIInChI=1S/C17H23N5O2/c1-12-10-15(22(2)21-12)20-17(23)19-11-13-6-5-9-18-16(13)24-14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H2,19,20,23)
InChIKeyZNCYDUJRFXMIMM-UHFFFAOYSA-N
XLogP2.77
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea (CID 51080214) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)NCc2cccnc2OC2CCCC2)n(C)n1.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is ZNCYDUJRFXMIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-10-15(22(2)21-12)20-17(23)19-11-13-6-5-9-18-16(13)24-14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 329.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 51080214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).