1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea

C19H24N4O2 — CID 97453321

IUPAC1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
SMILESC[C@H](Cc1cnccn1)NC(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H24N4O2/c1-14(11-16-13-20-9-10-21-16)22-19(24)23-15-5-4-8-18(12-15)25-17-6-2-3-7-17/h4-5,8-10,12-14,17H,2-3,6-7,11H2,1H3,(H2,22,23,24)/t14-/m1/s1
InChIKeyQUHYLGYJDSZLME-CQSZACIVSA-N
MW340.43 g/mol
LogP3.55
Rot. Bonds6

About 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea

1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea (PubChem CID 97453321) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
PubChem CID97453321
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
SMILESC[C@H](Cc1cnccn1)NC(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H24N4O2/c1-14(11-16-13-20-9-10-21-16)22-19(24)23-15-5-4-8-18(12-15)25-17-6-2-3-7-17/h4-5,8-10,12-14,17H,2-3,6-7,11H2,1H3,(H2,22,23,24)/t14-/m1/s1
InChIKeyQUHYLGYJDSZLME-CQSZACIVSA-N
XLogP3.55
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea?
The IUPAC name of 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea (CID 97453321) is 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea is C[C@H](Cc1cnccn1)NC(=O)Nc1cccc(OC2CCCC2)c1.
What is the InChIKey of 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea?
The InChIKey is QUHYLGYJDSZLME-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(11-16-13-20-9-10-21-16)22-19(24)23-15-5-4-8-18(12-15)25-17-6-2-3-7-17/h4-5,8-10,12-14,17H,2-3,6-7,11H2,1H3,(H2,22,23,24)/t14-/m1/s1.
What are the key properties of 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea?
1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea has a molecular weight of 340.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea is sourced from PubChem (CID 97453321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).